 Entering Gaussian System, Link 0=g16
 Input=36a_RhEn3-lel3_STD_B3LYPDBJ-def2SVPDr.in
 Output=36a_RhEn3-lel3_STD_B3LYPDBJ-def2SVPDr.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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                  0.28148150384D-01      1.0000000
            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
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            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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            P    1   1.00
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            P    1   1.00
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                 18.504059617           -0.54952972010D-02
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                  1.7142196009           0.51273377761
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            D    1   1.00
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
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            D    1   1.00
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.1038910              0.4732600
            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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                  1.00                   0.350
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            F    1   1.00
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            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
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                  0.11585976646          1.0000000
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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            D    4   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
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            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
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            P    4   1.00
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                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
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                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/B3LYPDBJ_def2SVPD/36a_RhEn3-lel3_STD/Gau-11662.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/B3LYPDBJ_def2SVPD/36a_RhEn3-lel3_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     11664.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                16-Jul-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=42GB
 %chk=36a_RhEn3-lel3_STD_B3LYPDBJ-def2SVPDr
 ----------------------------------------------------------------------
 #P B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoS
 ymm,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq Pseudo=Rea
 d
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,16=1,17=8,25=1,30=1,36=2,74=-5,75=-5,116=-2,124=41/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Fri Jul 16 13:10:03 2021, MaxMem=  5637144576 cpu:               1.6 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "36a_RhEn3-lel3_STD_B3LYPDBJ-def2SVPDr.chk"
 Charge =  3 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -0.478199000000     -2.838320000000      0.749399000000
  C                                                -0.645629000000     -2.804461000000     -0.750307000000
  N                                                -1.078681000000     -1.418399000000     -1.150041000000
  Rh                                                0.000089000000      0.000061000000      0.000067000000
  N                                                 0.452614000000     -1.723960000000      1.149911000000
  N                                                 1.266579000000      1.253203000000      1.150361000000
  C                                                 2.697130000000      1.004980000000      0.749740000000
  C                                                 2.751749000000      0.843414000000     -0.749999000000
  N                                                 1.767955000000     -0.224596000000     -1.150132000000
  N                                                -0.689162000000      1.644142000000     -1.149359000000
  C                                                -2.106386000000      1.961118000000     -0.750083000000
  C                                                -2.219517000000      1.832701000000      0.749582000000
  N                                                -1.719027000000      0.469782000000      1.150195000000
  H                                                 3.756021000000      0.579430000000     -1.083089000000
  H                                                 2.470270000000      1.765046000000     -1.260306000000
  H                                                 3.333144000000      1.825874000000      1.082628000000
  H                                                 3.035123000000      0.102500000000      1.259954000000
  H                                                -2.380317000000      2.962746000000     -1.083117000000
  H                                                -2.763117000000      1.256285000000     -1.260915000000
  H                                                -3.248557000000      1.972847000000      1.082181000000
  H                                                -1.607166000000      2.576710000000      1.260000000000
  H                                                -1.376439000000     -3.542110000000     -1.083457000000
  H                                                 0.293217000000     -3.021476000000     -1.260748000000
  H                                                -0.085550000000     -3.799768000000      1.082032000000
  H                                                -1.428624000000     -2.679610000000      1.259901000000
  H                                                 1.413300000000     -2.037405000000      1.012360000000
  H                                                 0.376507000000     -1.580276000000      2.156655000000
  H                                                -2.086004000000     -1.339860000000     -1.011556000000
  H                                                -0.954028000000     -1.314487000000     -2.156803000000
  H                                                -2.470374000000     -0.206011000000      1.012941000000
  H                                                -1.556269000000      0.464260000000      2.156877000000
  H                                                -0.118063000000      2.477516000000     -1.010037000000
  H                                                -0.660849000000      1.484860000000     -2.156217000000
  H                                                 1.057396000000      2.241932000000      1.013461000000
  H                                                 1.180208000000      1.114623000000      2.156980000000
  H                                                 2.203896000000     -1.136230000000     -1.012433000000
  H                                                 1.615436000000     -0.167935000000     -2.156845000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     37 NQM=       37 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          14         103          14          14          12          12          14          14
 AtmWgt=  12.0000000  12.0000000  14.0030740 102.9048000  14.0030740  14.0030740  12.0000000  12.0000000  14.0030740  14.0030740
 NucSpn=           0           0           2           1           2           2           0           0           2           2
 AtZEff=   3.6000000   3.6000000   4.5500000 229.5000000   4.5500000   4.5500000   3.6000000   3.6000000   4.5500000   4.5500000
 NQMom=    0.0000000   0.0000000   2.0440000   0.0000000   2.0440000   2.0440000   0.0000000   0.0000000   2.0440000   2.0440000
 NMagM=    0.0000000   0.0000000   0.4037610  -0.0884000   0.4037610   0.4037610   0.0000000   0.0000000   0.4037610   0.4037610
 AtZNuc=   6.0000000   6.0000000   7.0000000  45.0000000   7.0000000   7.0000000   6.0000000   6.0000000   7.0000000   7.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12          12          14           1           1           1           1           1           1           1
 AtmWgt=  12.0000000  12.0000000  14.0030740   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           2           1           1           1           1           1           1           1
 AtZEff=   3.6000000   3.6000000   4.5500000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   2.0440000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.4037610   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   7.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        21          22          23          24          25          26          27          28          29          30
 IAtWgt=           1           1           1           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        31          32          33          34          35          36          37
 IAtWgt=           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Fri Jul 16 13:10:03 2021, MaxMem=  5637144576 cpu:               1.0 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -0.478199   -2.838320    0.749399
      2          6           0       -0.645629   -2.804461   -0.750307
      3          7           0       -1.078681   -1.418399   -1.150041
      4         45           0        0.000089    0.000061    0.000067
      5          7           0        0.452614   -1.723960    1.149911
      6          7           0        1.266579    1.253203    1.150361
      7          6           0        2.697130    1.004980    0.749740
      8          6           0        2.751749    0.843414   -0.749999
      9          7           0        1.767955   -0.224596   -1.150132
     10          7           0       -0.689162    1.644142   -1.149359
     11          6           0       -2.106386    1.961118   -0.750083
     12          6           0       -2.219517    1.832701    0.749582
     13          7           0       -1.719027    0.469782    1.150195
     14          1           0        3.756021    0.579430   -1.083089
     15          1           0        2.470270    1.765046   -1.260306
     16          1           0        3.333144    1.825874    1.082628
     17          1           0        3.035123    0.102500    1.259954
     18          1           0       -2.380317    2.962746   -1.083117
     19          1           0       -2.763117    1.256285   -1.260915
     20          1           0       -3.248557    1.972847    1.082181
     21          1           0       -1.607166    2.576710    1.260000
     22          1           0       -1.376439   -3.542110   -1.083457
     23          1           0        0.293217   -3.021476   -1.260748
     24          1           0       -0.085550   -3.799768    1.082032
     25          1           0       -1.428624   -2.679610    1.259901
     26          1           0        1.413300   -2.037405    1.012360
     27          1           0        0.376507   -1.580276    2.156655
     28          1           0       -2.086004   -1.339860   -1.011556
     29          1           0       -0.954028   -1.314487   -2.156803
     30          1           0       -2.470374   -0.206011    1.012941
     31          1           0       -1.556269    0.464260    2.156877
     32          1           0       -0.118063    2.477516   -1.010037
     33          1           0       -0.660849    1.484860   -2.156217
     34          1           0        1.057396    2.241932    1.013461
     35          1           0        1.180208    1.114623    2.156980
     36          1           0        2.203896   -1.136230   -1.012433
     37          1           0        1.615436   -0.167935   -2.156845
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.509403   0.000000
     3  N    2.446350   1.506150   0.000000
     4  Rh   2.974334   2.974114   2.120972   0.000000
     5  N    1.506194   2.446313   2.779930   2.121124   0.000000
     6  N    4.466048   4.871726   4.234330   2.120740   3.086428
     7  C    4.985345   5.285454   4.872236   2.974206   3.555995
     8  C    5.122101   4.984894   4.466321   2.974135   3.935364
     9  N    3.935096   3.555412   3.086827   2.121032   3.044407
    10  N    4.872602   4.466677   3.087213   2.121143   4.234903
    11  C    5.285267   4.984431   3.554895   2.974173   4.872192
    12  C    4.985040   5.121529   3.934428   2.974390   4.466585
    13  N    3.555816   3.935068   3.044069   2.121036   3.086831
    14  H    5.741746   5.562013   5.231649   3.951698   4.604823
    15  H    5.824377   5.554216   4.768808   3.287173   4.696088
    16  H    6.032585   6.374189   5.913909   3.951555   4.572013
    17  H    4.610046   5.102892   5.004457   3.287741   3.165031
    18  H    6.374052   6.031632   4.570904   3.951851   5.914146
    19  H    5.101765   4.608051   3.162839   3.286865   5.003486
    20  H    5.561740   5.740725   4.603447   3.951779   5.231600
    21  H    5.554982   5.824336   4.695582   3.287829   4.769756
    22  H    2.159055   1.090504   2.145517   3.951687   3.411603
    23  H    2.160861   1.090448   2.112869   3.287136   2.742304
    24  H    1.090505   2.159118   3.411653   3.951795   2.145509
    25  H    1.090463   2.160927   2.742432   3.287710   2.112918
    26  H    2.070841   2.816835   3.356950   2.678277   1.019846
    27  H    2.072092   3.315693   3.616354   2.700005   1.019790
    28  H    2.816271   2.070746   1.019827   2.677789   3.356196
    29  H    3.315794   2.072043   1.019758   2.700086   3.616721
    30  H    3.311686   3.631898   2.843446   2.677978   3.296481
    31  H    3.748368   4.468279   3.835127   2.699919   3.136542
    32  H    5.611009   5.314609   4.015039   2.678069   4.758513
    33  H    5.212087   4.513877   3.100949   2.700190   4.739916
    34  H    5.313825   5.610459   4.758318   2.677844   4.014060
    35  H    4.511913   5.210107   4.738688   2.699482   3.098570
    36  H    3.632464   3.312325   3.297555   2.678260   2.843967
    37  H    4.467720   3.747270   3.136173   2.699970   3.835102
                    6          7          8          9         10
     6  N    0.000000
     7  C    1.506183   0.000000
     8  C    2.446431   1.509405   0.000000
     9  N    2.779845   2.446372   1.506188   0.000000
    10  N    3.044087   3.934727   3.555351   3.087006   0.000000
    11  C    3.935699   5.122249   4.985051   4.466308   1.506127
    12  C    3.556586   4.985834   5.285917   4.872506   2.446123
    13  N    3.086680   4.466458   4.872184   4.234703   2.779873
    14  H    3.411684   2.159075   1.090504   2.145544   4.571395
    15  H    2.742658   2.160891   1.090435   2.112832   3.163690
    16  H    2.145514   1.090502   2.159113   3.411665   4.603666
    17  H    2.112789   1.090425   2.160825   2.742484   4.695929
    18  H    4.605520   5.742184   5.562431   5.231807   2.145486
    19  H    4.696031   5.824104   5.553850   4.768217   2.112858
    20  H    4.572635   6.033115   6.374651   5.914167   3.411498
    21  H    3.165770   4.610603   5.103386   5.004747   2.741792
    22  H    5.913587   6.374214   6.032077   4.571385   5.232008
    23  H    5.003375   5.102275   4.608972   3.163799   4.769221
    24  H    5.231198   5.562313   5.741580   4.604334   5.914356
    25  H    4.768976   5.555026   5.824681   4.696112   5.004615
    26  H    3.296767   3.312596   3.632695   2.844016   4.758904
    27  H    3.135835   3.748099   4.468186   3.835210   4.739436
    28  H    4.757906   5.610598   5.314033   4.014476   3.297639
    29  H    4.739352   5.211418   4.513138   3.100071   3.136652
    30  H    4.014101   5.314026   5.610688   4.758431   3.357279
    31  H    3.099028   4.512628   5.210826   4.739335   3.615964
    32  H    2.843149   3.631871   3.312662   3.298196   1.019842
    33  H    3.834332   4.466642   3.746295   3.135847   1.019772
    34  H    1.019845   2.070828   2.817175   3.357051   2.843520
    35  H    1.019778   2.072052   3.315693   3.616067   3.834946
    36  H    3.356431   2.816614   2.070750   1.019844   4.014848
    37  H    3.616483   3.315724   2.072016   1.019776   3.099971
                   11         12         13         14         15
    11  C    0.000000
    12  C    1.509399   0.000000
    13  N    2.446464   1.506164   0.000000
    14  H    6.032228   6.374671   5.914028   0.000000
    15  H    4.609181   5.102777   5.003842   1.757910   0.000000
    16  H    5.741568   5.562644   5.231442   2.534320   2.497517
    17  H    5.824931   5.555656   4.769579   2.497400   3.071617
    18  H    1.090508   2.159084   3.411723   6.582920   4.999408
    19  H    1.090429   2.160985   2.742656   6.556593   5.258058
    20  H    2.159140   1.090498   2.145528   7.462849   6.183479
    21  H    2.160696   1.090436   2.112751   6.184090   4.861710
    22  H    5.561428   5.741028   4.604546   6.582495   6.557008
    23  H    5.553838   5.823941   4.695812   4.998910   5.258360
    24  H    6.374028   6.032333   4.571865   6.214724   6.556365
    25  H    5.102524   4.609435   3.164655   6.556789   6.427113
    26  H    5.610934   5.314521   4.014531   4.089875   4.554210
    27  H    5.211080   4.513049   3.099510   5.155714   5.220215
    28  H    3.311380   3.631057   2.842999   6.149638   5.519235
    29  H    3.746515   4.466915   3.834720   5.188867   4.691806
    30  H    2.817302   2.070902   1.019832   6.616514   5.784694
    31  H    3.315664   2.071958   1.019769   6.223429   5.438952
    32  H    2.070669   2.815698   3.355694   4.314695   2.696241
    33  H    2.072103   3.315736   3.616972   4.634668   3.268802
    34  H    3.632969   3.312893   3.296625   3.800265   2.719127
    35  H    4.468699   3.748938   3.136080   4.173642   3.710142
    36  H    5.314219   5.611224   4.758735   2.314643   2.924004
    37  H    4.512627   5.211212   4.739392   2.508707   2.295853
                   16         17         18         19         20
    16  H    0.000000
    17  H    1.757919   0.000000
    18  H    6.215027   6.557284   0.000000
    19  H    6.555991   6.426942   1.757884   0.000000
    20  H    6.583342   6.558539   2.534217   2.497841   0.000000
    21  H    5.000188   5.260472   2.497395   3.071605   1.757963
    22  H    7.462396   6.183578   6.581863   4.997896   6.213660
    23  H    6.182990   4.861195   6.556695   5.257415   6.555665
    24  H    6.582957   4.999795   7.462267   6.182430   6.582378
    25  H    6.557839   5.259769   6.183173   4.860726   4.998910
    26  H    4.314587   2.696443   6.616953   5.784344   6.149789
    27  H    4.636496   3.271704   6.223765   5.439035   5.188474
    28  H    6.616241   5.784989   4.313254   2.694556   4.087700
    29  H    6.223795   5.440166   4.634849   3.268683   5.153877
    30  H    6.149328   5.519664   3.800341   2.719270   2.314689
    31  H    5.187905   4.692145   4.173613   3.710133   2.508913
    32  H    4.088363   4.553695   2.314861   2.924150   3.798955
    33  H    5.153483   5.219325   2.508438   2.296376   4.173917
    34  H    2.314502   2.923924   4.090609   4.554186   4.314900
    35  H    2.509032   2.295595   5.156658   5.220334   4.637424
    36  H    3.799808   2.718296   6.149928   5.518794   6.616873
    37  H    4.173725   3.709874   5.188458   4.690716   6.223557
                   21         22         23         24         25
    21  H    0.000000
    22  H    6.556293   0.000000
    23  H    6.426921   1.757909   0.000000
    24  H    6.557931   2.534191   2.497563   0.000000
    25  H    5.259351   2.497590   3.071690   1.757908   0.000000
    26  H    5.520380   3.799899   2.718456   2.314590   2.924079
    27  H    4.692492   4.173720   3.709803   2.508875   2.295910
    28  H    4.552886   2.314856   2.924145   3.799483   2.717829
    29  H    5.219439   2.508547   2.296159   4.173839   3.709807
    30  H    2.923987   4.089148   4.553454   4.313612   2.695352
    31  H    2.295523   5.155881   5.220260   4.636835   3.271816
    32  H    2.716677   6.150187   5.520047   6.616805   5.784992
    33  H    3.709204   5.189731   4.692459   6.224510   5.440786
    34  H    2.696803   6.616325   5.784415   6.149241   5.519294
    35  H    3.272877   6.222703   5.438284   5.187378   4.691158
    36  H    5.785678   4.314175   2.695646   4.089350   4.554199
    37  H    5.439951   4.635573   3.270160   5.154987   5.220054
                   26         27         28         29         30
    26  H    0.000000
    27  H    1.610378   0.000000
    28  H    4.102186   4.019866   0.000000
    29  H    4.021249   4.521823   1.610467   0.000000
    30  H    4.293824   3.361758   2.352008   3.684468   0.000000
    31  H    4.048035   2.813494   3.684350   4.704728   1.610416
    32  H    5.178771   5.170901   4.294782   4.048851   4.102088
    33  H    5.171878   5.391849   3.364574   2.814658   4.022063
    34  H    4.294112   4.047194   5.177923   5.171510   4.293901
    35  H    3.361513   2.812191   5.170324   5.391128   4.047178
    36  H    2.353071   3.685057   4.294730   3.363606   5.178441
    37  H    3.685056   4.704884   4.047932   2.813668   5.171348
                   31         32         33         34         35
    31  H    0.000000
    32  H    4.018828   0.000000
    33  H    4.521745   1.610500   0.000000
    34  H    3.361363   2.351967   3.684071   0.000000
    35  H    2.812699   3.684153   4.704278   1.610448   0.000000
    36  H    5.171551   4.295423   4.047854   4.102522   4.019882
    37  H    5.391436   3.364312   2.813042   4.021158   4.521445
                   36         37
    36  H    0.000000
    37  H    1.610453   0.000000
 Stoichiometry    C6H24N6Rh(3+)
 Framework group  C1[X(C6H24N6Rh)]
 Deg. of freedom   105
 Full point group                 C1      NOp   1
 RotChk:  IX=3 Diff= 1.97D-12
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -0.477057   -2.838512    0.749399
      2          6           0       -0.644501   -2.804721   -0.750307
      3          7           0       -1.078110   -1.418833   -1.150041
      4         45           0        0.000089    0.000061    0.000067
      5          7           0        0.453307   -1.723778    1.149911
      6          7           0        1.266075    1.253712    1.150361
      7          6           0        2.696725    1.006065    0.749740
      8          6           0        2.751409    0.844521   -0.749999
      9          7           0        1.768045   -0.223885   -1.150132
     10          7           0       -0.689823    1.643865   -1.149359
     11          6           0       -2.107175    1.960270   -0.750083
     12          6           0       -2.220254    1.831808    0.749582
     13          7           0       -1.719216    0.469090    1.150195
     14          1           0        3.755788    0.580941   -1.083089
     15          1           0        2.469560    1.766040   -1.260306
     16          1           0        3.332409    1.827215    1.082628
     17          1           0        3.035082    0.103721    1.259954
     18          1           0       -2.381509    2.961788   -1.083117
     19          1           0       -2.763622    1.255173   -1.260915
     20          1           0       -3.249350    1.971540    1.082181
     21          1           0       -1.608202    2.576063    1.260000
     22          1           0       -1.375014   -3.542663   -1.083457
     23          1           0        0.294432   -3.021358   -1.260748
     24          1           0       -0.084021   -3.799802    1.082032
     25          1           0       -1.427546   -2.680185    1.259901
     26          1           0        1.414120   -2.036836    1.012360
     27          1           0        0.377143   -1.580124    2.156655
     28          1           0       -2.085465   -1.340699   -1.011556
     29          1           0       -0.953499   -1.314871   -2.156803
     30          1           0       -2.470291   -0.207005    1.012941
     31          1           0       -1.556456    0.463634    2.156877
     32          1           0       -0.119060    2.477468   -1.010037
     33          1           0       -0.661446    1.484594   -2.156217
     34          1           0        1.056494    2.242357    1.013461
     35          1           0        1.179760    1.115098    2.156980
     36          1           0        2.204353   -1.135343   -1.012433
     37          1           0        1.615503   -0.167285   -2.156845
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.6901150           0.6900165           0.4769981
 Leave Link  202 at Fri Jul 16 13:10:03 2021, MaxMem=  5637144576 cpu:               0.7 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      14     15     16     17     18     19     20     21     22     23
 Centers:      24     25     26     27     28     29     30     31     32     33
 Centers:      34     35     36     37
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      7      8     11     12
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       3      5      6      9     10     13
 S 5 1.00
     Exponent=  1.7128415853D+03 Coefficients= -5.3934125305D-03
     Exponent=  2.5764812677D+02 Coefficients= -4.0221581118D-02
     Exponent=  5.8458245853D+01 Coefficients= -1.7931144990D-01
     Exponent=  1.6198367905D+01 Coefficients= -4.6376317823D-01
     Exponent=  5.0052600809D+00 Coefficients= -4.4171422662D-01
 S 1 1.00
     Exponent=  5.8731856571D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.8764592253D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  9.6171241529D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.3571470233D+01 Coefficients= -4.0072398852D-02
     Exponent=  2.9257372874D+00 Coefficients= -2.1807045028D-01
     Exponent=  7.9927750754D-01 Coefficients= -5.1294466049D-01
 P 1 1.00
     Exponent=  2.1954348034D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.0000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.6697708112D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       4
 S 3 1.00
     Exponent=  7.9177440000D+00 Coefficients=  1.4014042010D+00
     Exponent=  6.8412070000D+00 Coefficients= -1.7975072656D+00
     Exponent=  2.9598400000D+00 Coefficients= -1.6225754497D-01
 S 1 1.00
     Exponent=  1.3166643441D+00 Coefficients=  8.7495110714D-01
 S 1 1.00
     Exponent=  5.6907152172D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.0059695193D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  3.7071460798D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  4.1360790000D+00 Coefficients= -5.5183328018D-01
     Exponent=  2.9462810000D+00 Coefficients=  6.1370533515D-01
     Exponent=  1.0792431924D+00 Coefficients=  6.4005434538D-01
     Exponent=  4.6611217769D-01 Coefficients=  2.5958050755D-01
 P 1 1.00
     Exponent=  1.7453169991D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.4600000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.1000000000D-02 Coefficients=  1.0000000000D+00
 D 4 1.00
     Exponent=  6.8847131641D+00 Coefficients= -1.5962387985D-02
     Exponent=  2.3837304391D+00 Coefficients=  2.3047555829D-01
     Exponent=  1.0184384022D+00 Coefficients=  4.4075804028D-01
     Exponent=  3.9957494644D-01 Coefficients=  3.9567661996D-01
 D 1 1.00
     Exponent=  1.3951120264D-01 Coefficients=  1.0000000000D+00
 F 1 1.00
     Exponent=  1.0949900000D+00 Coefficients=  1.0000000000D+00
 ****
 ======================================================================================================
                                       Pseudopotential Parameters
 ======================================================================================================
  Center     Atomic      Valence      Angular      Power
  Number     Number     Electrons     Momentum     of R      Exponent        Coefficient   SO-Coeffient
 ======================================================================================================
    1          6
                                   No pseudopotential on this center.
    2          6
                                   No pseudopotential on this center.
    3          7
                                   No pseudopotential on this center.
    4         45           17
                                      F and up 
                                                     2       12.3100000      -30.09345572    0.00000000
                                                     2        6.1600000       -5.21848192    0.00000000
                                      S - F
                                                     2       11.7200000      225.34775353    0.00000000
                                                     2        5.8200000       32.82318898    0.00000000
                                                     2       12.3100000       30.09345572    0.00000000
                                                     2        6.1600000        5.21848192    0.00000000
                                      P - F
                                                     2       10.4200000      158.70941159    0.00000000
                                                     2        5.4500000       26.44410049    0.00000000
                                                     2       12.3100000       30.09345572    0.00000000
                                                     2        6.1600000        5.21848192    0.00000000
                                      D - F
                                                     2        8.8200000       62.75862572    0.00000000
                                                     2        3.8700000       10.97871947    0.00000000
                                                     2       12.3100000       30.09345572    0.00000000
                                                     2        6.1600000        5.21848192    0.00000000
    5          7
                                   No pseudopotential on this center.
    6          7
                                   No pseudopotential on this center.
    7          6
                                   No pseudopotential on this center.
    8          6
                                   No pseudopotential on this center.
    9          7
                                   No pseudopotential on this center.
   10          7
                                   No pseudopotential on this center.
   11          6
                                   No pseudopotential on this center.
   12          6
                                   No pseudopotential on this center.
   13          7
                                   No pseudopotential on this center.
   14          1
                                   No pseudopotential on this center.
   15          1
                                   No pseudopotential on this center.
   16          1
                                   No pseudopotential on this center.
   17          1
                                   No pseudopotential on this center.
   18          1
                                   No pseudopotential on this center.
   19          1
                                   No pseudopotential on this center.
   20          1
                                   No pseudopotential on this center.
   21          1
                                   No pseudopotential on this center.
   22          1
                                   No pseudopotential on this center.
   23          1
                                   No pseudopotential on this center.
   24          1
                                   No pseudopotential on this center.
   25          1
                                   No pseudopotential on this center.
   26          1
                                   No pseudopotential on this center.
   27          1
                                   No pseudopotential on this center.
   28          1
                                   No pseudopotential on this center.
   29          1
                                   No pseudopotential on this center.
   30          1
                                   No pseudopotential on this center.
   31          1
                                   No pseudopotential on this center.
   32          1
                                   No pseudopotential on this center.
   33          1
                                   No pseudopotential on this center.
   34          1
                                   No pseudopotential on this center.
   35          1
                                   No pseudopotential on this center.
   36          1
                                   No pseudopotential on this center.
   37          1
                                   No pseudopotential on this center.
 ======================================================================================================
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   495 symmetry adapted cartesian basis functions of A   symmetry.
 There are   466 symmetry adapted basis functions of A   symmetry.
   466 basis functions,   692 primitive gaussians,   495 cartesian basis functions
    58 alpha electrons       58 beta electrons
       nuclear repulsion energy      1198.1851107110 Hartrees.
 IExCor=  402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX=  0.200000
 ScaDFX=  0.800000  0.720000  1.000000  0.810000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=141
 NAtoms=   37 NActive=   37 NUniq=   37 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D3(BJ) Dispersion energy=       -0.0805938414 Hartrees.
 Nuclear repulsion after empirical dispersion term =     1198.1045168696 Hartrees.
 Leave Link  301 at Fri Jul 16 13:10:06 2021, MaxMem=  5637144576 cpu:              13.5 elap:               2.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   20910 NPrTT=   55521 LenC2=   20713 LenP2D=   45963.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 NBasis=   466 RedAO= T EigKep=  9.21D-06  NBF=   466
 NBsUse=   466 1.00D-06 EigRej= -1.00D+00 NBFU=   466
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Defaulting to unpruned grid for atomic number  45.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   495   495   495   495   495 MxSgAt=    37 MxSgA2=    37.
 Leave Link  302 at Fri Jul 16 13:10:08 2021, MaxMem=  5637144576 cpu:              13.3 elap:               1.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Fri Jul 16 13:10:09 2021, MaxMem=  5637144576 cpu:               2.2 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "36a_RhEn3-lel3_STD_B3LYPDBJ-def2SVPDr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000   -0.000000    0.000000
         Rot=    1.000000   -0.000000    0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Fri Jul 16 13:10:10 2021, MaxMem=  5637144576 cpu:               8.9 elap:               1.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5637144576 LenX=  5636645459 LenY=  5636399939
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf= 970000000 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=         0 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 E= -681.003621229579    
 DIIS: error= 5.76D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -681.003621229579     IErMin= 1 ErrMin= 5.76D-03
 ErrMax= 5.76D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.46D-02 BMatP= 1.46D-02
 IDIUse=3 WtCom= 9.42D-01 WtEn= 5.76D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.234 Goal=   None    Shift=    0.000
 GapD=    0.234 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=9.83D-03 MaxDP=1.23D+00              OVMax= 1.05D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  7.50D-03    CP:  1.31D+00
 E= -681.012752359861     Delta-E=       -0.009131130282 Rises=F Damp=F
 DIIS: error= 2.34D-03 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -681.012752359861     IErMin= 2 ErrMin= 2.34D-03
 ErrMax= 2.34D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.23D-03 BMatP= 1.46D-02
 IDIUse=3 WtCom= 9.77D-01 WtEn= 2.34D-02
 Coeff-Com:  0.923D-01 0.908D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.901D-01 0.910D+00
 Gap=     0.227 Goal=   None    Shift=    0.000
 RMSDP=8.81D-04 MaxDP=5.88D-02 DE=-9.13D-03 OVMax= 2.37D-02

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  8.31D-04    CP:  1.32D+00  1.02D+00
 E= -681.008924239682     Delta-E=        0.003828120179 Rises=F Damp=F
 DIIS: error= 5.19D-03 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -681.012752359861     IErMin= 2 ErrMin= 2.34D-03
 ErrMax= 5.19D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.92D-03 BMatP= 1.23D-03
 IDIUse=3 WtCom= 1.22D-01 WtEn= 8.78D-01
 Coeff-Com: -0.905D-02 0.695D+00 0.314D+00
 Coeff-En:   0.000D+00 0.759D+00 0.241D+00
 Coeff:     -0.110D-02 0.751D+00 0.250D+00
 Gap=     0.231 Goal=   None    Shift=    0.000
 RMSDP=4.95D-04 MaxDP=2.80D-02 DE= 3.83D-03 OVMax= 1.27D-02

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  7.67D-05    CP:  1.33D+00  1.04D+00  4.26D-01
 E= -681.013576856136     Delta-E=       -0.004652616454 Rises=F Damp=F
 DIIS: error= 1.03D-03 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -681.013576856136     IErMin= 4 ErrMin= 1.03D-03
 ErrMax= 1.03D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.98D-04 BMatP= 1.23D-03
 IDIUse=3 WtCom= 9.90D-01 WtEn= 1.03D-02
 Coeff-Com: -0.857D-02 0.384D+00 0.496D-01 0.575D+00
 Coeff-En:   0.000D+00 0.240D+00 0.000D+00 0.760D+00
 Coeff:     -0.848D-02 0.382D+00 0.491D-01 0.577D+00
 Gap=     0.232 Goal=   None    Shift=    0.000
 RMSDP=1.15D-04 MaxDP=5.97D-03 DE=-4.65D-03 OVMax= 2.78D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  2.38D-05    CP:  1.33D+00  1.04D+00  2.92D-01  9.43D-01
 E= -681.013820866049     Delta-E=       -0.000244009913 Rises=F Damp=F
 DIIS: error= 6.36D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -681.013820866049     IErMin= 5 ErrMin= 6.36D-05
 ErrMax= 6.36D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.60D-06 BMatP= 2.98D-04
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.172D-02 0.471D-01-0.262D-01 0.189D+00 0.792D+00
 Coeff:     -0.172D-02 0.471D-01-0.262D-01 0.189D+00 0.792D+00
 Gap=     0.232 Goal=   None    Shift=    0.000
 RMSDP=1.38D-05 MaxDP=1.14D-03 DE=-2.44D-04 OVMax= 2.58D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  7.34D-06    CP:  1.33D+00  1.04D+00  2.87D-01  9.99D-01  8.43D-01
 E= -681.013822123841     Delta-E=       -0.000001257792 Rises=F Damp=F
 DIIS: error= 1.86D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -681.013822123841     IErMin= 6 ErrMin= 1.86D-05
 ErrMax= 1.86D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.44D-07 BMatP= 1.60D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.450D-03 0.281D-02-0.169D-01 0.649D-01 0.430D+00 0.520D+00
 Coeff:     -0.450D-03 0.281D-02-0.169D-01 0.649D-01 0.430D+00 0.520D+00
 Gap=     0.232 Goal=   None    Shift=    0.000
 RMSDP=2.63D-06 MaxDP=1.12D-04 DE=-1.26D-06 OVMax= 6.42D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  1.49D-06    CP:  1.33D+00  1.04D+00  2.86D-01  9.96D-01  8.59D-01
                    CP:  7.44D-01
 E= -681.013822350114     Delta-E=       -0.000000226273 Rises=F Damp=F
 DIIS: error= 2.75D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -681.013822350114     IErMin= 7 ErrMin= 2.75D-06
 ErrMax= 2.75D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.16D-09 BMatP= 2.44D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.590D-04-0.165D-02-0.388D-02 0.939D-02 0.101D+00 0.176D+00
 Coeff-Com:  0.719D+00
 Coeff:     -0.590D-04-0.165D-02-0.388D-02 0.939D-02 0.101D+00 0.176D+00
 Coeff:      0.719D+00
 Gap=     0.232 Goal=   None    Shift=    0.000
 RMSDP=8.00D-07 MaxDP=6.62D-05 DE=-2.26D-07 OVMax= 8.72D-06

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  4.59D-07    CP:  1.33D+00  1.04D+00  2.85D-01  9.99D-01  8.66D-01
                    CP:  7.36D-01  8.16D-01
 E= -681.013822354170     Delta-E=       -0.000000004057 Rises=F Damp=F
 DIIS: error= 4.71D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -681.013822354170     IErMin= 8 ErrMin= 4.71D-07
 ErrMax= 4.71D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.72D-11 BMatP= 4.16D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.789D-05-0.608D-03-0.152D-03-0.106D-02 0.459D-02 0.194D-01
 Coeff-Com:  0.174D+00 0.803D+00
 Coeff:      0.789D-05-0.608D-03-0.152D-03-0.106D-02 0.459D-02 0.194D-01
 Coeff:      0.174D+00 0.803D+00
 Gap=     0.232 Goal=   None    Shift=    0.000
 RMSDP=1.29D-07 MaxDP=8.64D-06 DE=-4.06D-09 OVMax= 1.14D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  6.21D-08    CP:  1.33D+00  1.04D+00  2.85D-01  9.98D-01  8.65D-01
                    CP:  7.46D-01  8.55D-01  9.41D-01
 E= -681.013822354280     Delta-E=       -0.000000000110 Rises=F Damp=F
 DIIS: error= 5.42D-08 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -681.013822354280     IErMin= 9 ErrMin= 5.42D-08
 ErrMax= 5.42D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.18D-12 BMatP= 9.72D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.203D-05-0.650D-04 0.368D-04-0.332D-03-0.121D-02-0.178D-03
 Coeff-Com:  0.209D-01 0.156D+00 0.825D+00
 Coeff:      0.203D-05-0.650D-04 0.368D-04-0.332D-03-0.121D-02-0.178D-03
 Coeff:      0.209D-01 0.156D+00 0.825D+00
 Gap=     0.232 Goal=   None    Shift=    0.000
 RMSDP=2.09D-08 MaxDP=1.10D-06 DE=-1.10D-10 OVMax= 3.06D-07

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  1.00D-08    CP:  1.33D+00  1.04D+00  2.85D-01  9.98D-01  8.65D-01
                    CP:  7.46D-01  8.54D-01  9.36D-01  8.52D-01
 E= -681.013822354331     Delta-E=       -0.000000000051 Rises=F Damp=F
 DIIS: error= 2.00D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -681.013822354331     IErMin=10 ErrMin= 2.00D-08
 ErrMax= 2.00D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.63D-13 BMatP= 2.18D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.416D-06 0.100D-05 0.846D-05-0.419D-04-0.508D-03-0.800D-03
 Coeff-Com: -0.406D-03 0.126D-01 0.235D+00 0.754D+00
 Coeff:      0.416D-06 0.100D-05 0.846D-05-0.419D-04-0.508D-03-0.800D-03
 Coeff:     -0.406D-03 0.126D-01 0.235D+00 0.754D+00
 Gap=     0.232 Goal=   None    Shift=    0.000
 RMSDP=6.48D-09 MaxDP=5.87D-07 DE=-5.12D-11 OVMax= 1.16D-07

 SCF Done:  E(RB3LYP) =  -681.013822354     A.U. after   10 cycles
            NFock= 10  Conv=0.65D-08     -V/T= 2.1265
 KE= 6.045268737193D+02 PE=-3.901026554104D+03 EE= 1.417381341161D+03
 Leave Link  502 at Fri Jul 16 13:18:48 2021, MaxMem=  5637144576 cpu:            4105.8 elap:             516.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   466
 NBasis=   466 NAE=    58 NBE=    58 NFC=     0 NFV=     0
 NROrb=    466 NOA=    58 NOB=    58 NVA=   408 NVB=   408

 **** Warning!!: The largest alpha MO coefficient is  0.54667118D+02

 Leave Link  801 at Fri Jul 16 13:18:48 2021, MaxMem=  5637144576 cpu:               1.1 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
 Defaulting to unpruned grid for atomic number  45.
        11209 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5637144576 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          37
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   20910 NPrTT=   55521 LenC2=   20911 LenP2D=   55521.
 LDataN:  DoStor=T MaxTD1= 7 Len=  274
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 3.94D-13 8.33D-09 XBig12= 1.00D+00 3.25D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 3.94D-13 8.33D-09 XBig12= 2.60D-01 9.00D-02.
     11 vectors produced by pass  2 Test12= 3.94D-13 8.33D-09 XBig12= 9.51D-02 6.41D-02.
     11 vectors produced by pass  3 Test12= 3.94D-13 8.33D-09 XBig12= 1.78D-02 1.81D-02.
     11 vectors produced by pass  4 Test12= 3.94D-13 8.33D-09 XBig12= 2.61D-03 9.38D-03.
     11 vectors produced by pass  5 Test12= 3.94D-13 8.33D-09 XBig12= 7.13D-04 6.63D-03.
     11 vectors produced by pass  6 Test12= 3.94D-13 8.33D-09 XBig12= 1.92D-04 6.58D-03.
     11 vectors produced by pass  7 Test12= 3.94D-13 8.33D-09 XBig12= 2.08D-05 1.60D-03.
     11 vectors produced by pass  8 Test12= 3.94D-13 8.33D-09 XBig12= 1.18D-06 3.56D-04.
     11 vectors produced by pass  9 Test12= 3.94D-13 8.33D-09 XBig12= 4.09D-08 5.93D-05.
      9 vectors produced by pass 10 Test12= 3.94D-13 8.33D-09 XBig12= 2.51D-09 1.18D-05.
      4 vectors produced by pass 11 Test12= 3.94D-13 8.33D-09 XBig12= 4.45D-11 1.16D-06.
      1 vectors produced by pass 12 Test12= 3.94D-13 8.33D-09 XBig12= 1.17D-12 2.13D-07.
      1 vectors produced by pass 13 Test12= 3.94D-13 8.33D-09 XBig12= 1.84D-14 4.02D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 4.97D-14
 Solved reduced A of dimension   125 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.154245D+03
      2 -0.280094D-02  0.154242D+03
      3 -0.342377D-03 -0.299072D-02  0.126796D+03
 Isotropic polarizability for W=    0.085645      145.09 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1   0.594852D+02  0.891991D+02  0.936458D-02
      2  -0.595011D+02 -0.891967D+02 -0.166866D-01
      3   0.158590D-01 -0.238074D-02  0.732205D-02
      4   0.891806D+02 -0.595267D+02  0.266909D-02
      5  -0.156227D-01  0.517663D+01  0.415085D-02
      6  -0.517131D+01 -0.366742D-01 -0.133000D-01
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.335710D+01  0.394991D-01 -0.669739D-02
      2  -0.160612D-01 -0.334429D+01  0.389019D-02
      3  -0.701314D-02 -0.114978D-01 -0.173371D+00
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1   0.517396D+01 -0.199875D-01  0.109193D-01
      2   0.249873D-01  0.517398D+01 -0.117081D-01
      3  -0.185123D-01  0.256397D-01 -0.103479D+02
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1  -0.465342D+00 -0.523450D-02  0.247851D-02
      2  -0.523450D-02 -0.471743D+00  0.364335D-02
      3   0.247851D-02  0.364335D-02 -0.593768D+01
 OR G Eigenvalues:    -5.9377    -0.4747    -0.4624  Iso=     2.2916
 Eigenvectors:
   (1)  -0.000454  -0.000667   1.000000
   (2)   0.489017   0.872274   0.000804
   (3)   0.872274  -0.489017   0.000069
 w=    0.085645 a.u., Optical Rotation Beta=      2.2916 au.
 Molar Mass =    283.2013 grams/mole, [Alpha] ( 5320.0 A) =      383.77 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=  108811 ScalPx= 4.12D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  108811 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 3.99D+02
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 6.57D-14 2.78D-09 XBig12= 1.00D+00 4.46D-01.
     30 vectors produced by pass  1 Test12= 6.57D-14 2.78D-09 XBig12= 9.77D-01 4.61D-01.
     30 vectors produced by pass  2 Test12= 6.57D-14 2.78D-09 XBig12= 1.09D-02 1.58D-02.
     30 vectors produced by pass  3 Test12= 6.57D-14 2.78D-09 XBig12= 6.77D-04 2.51D-03.
     30 vectors produced by pass  4 Test12= 6.57D-14 2.78D-09 XBig12= 1.62D-05 4.48D-04.
     30 vectors produced by pass  5 Test12= 6.57D-14 2.78D-09 XBig12= 1.30D-07 4.04D-05.
     30 vectors produced by pass  6 Test12= 6.57D-14 2.78D-09 XBig12= 4.63D-10 3.95D-06.
     30 vectors produced by pass  7 Test12= 6.57D-14 2.78D-09 XBig12= 3.24D-12 2.80D-07.
      7 vectors produced by pass  8 Test12= 6.57D-14 2.78D-09 XBig12= 1.01D-14 1.75D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 1.55D-15
 Solved reduced A of dimension   247 with    30 vectors.
 ECPInt:  NShTT=   20910 NPrTT=   55521 LenC2=   20911 LenP2D=   55521.
 LDataN:  DoStor=T MaxTD1= 7 Len=  274
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  108811 ScalPx= 5.15D+02
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  108811 ScalPx= 5.15D+02
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  108811 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 5.18D+02
 FullF1:  Do perturbations      1 to      30.
 ECPInt:  NShTT=   20910 NPrTT=   55521 LenC2=   20911 LenP2D=   55521.
 LDataN:  DoStor=T MaxTD1= 8 Len=  415
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.154245D+03 -0.280094D-02 -0.342377D-03
      2  -0.280094D-02  0.154242D+03 -0.299072D-02
      3  -0.342377D-03 -0.299072D-02  0.126796D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.335710D+01  0.394991D-01 -0.669739D-02
      2  -0.160612D-01 -0.334429D+01  0.389019D-02
      3  -0.701314D-02 -0.114978D-01 -0.173371D+00
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.594852D+02  0.891991D+02  0.936458D-02
      2  -0.595011D+02 -0.891967D+02 -0.166866D-01
      3   0.158590D-01 -0.238074D-02  0.732205D-02
      4   0.891806D+02 -0.595267D+02  0.266909D-02
      5  -0.156227D-01  0.517663D+01  0.415085D-02
      6  -0.517131D+01 -0.366742D-01 -0.133000D-01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=   111 ND12= 1 LenFil=    3999:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.290913D+01 -0.943218D+00 -0.261955D+01 -0.117763D+01 -0.293061D+01
      2  -0.943218D+00 -0.481221D+01  0.110947D+01 -0.293061D+01  0.771096D+01
      3  -0.261955D+01  0.110947D+01  0.816225D+00  0.391103D+00 -0.400148D+01
                 6             7             8             9            10 
      1   0.391103D+00 -0.193641D+01  0.733049D+00  0.981592D+00 -0.142414D+01
      2  -0.400148D+01  0.733049D+00 -0.261013D+01  0.957686D+00  0.389405D+01
      3   0.796852D+00  0.981592D+00  0.957686D+00  0.422735D+00  0.335404D+01
                11            12            13            14            15 
      1   0.389405D+01  0.335404D+01  0.295591D+01  0.403361D+01  0.664623D+00
      2   0.567713D+01  0.138177D+01  0.403361D+01  0.233955D+01  0.327028D+01
      3   0.138177D+01 -0.446703D+00  0.664623D+00  0.327028D+01  0.105255D+01
                16            17            18            19            20 
      1   0.255552D+01  0.760902D+00 -0.539307D+00  0.794718D+00 -0.226815D+01
      2   0.760902D+00  0.199660D+01  0.126591D+01 -0.226815D+01 -0.267210D+01
      3  -0.539307D+00  0.126591D+01 -0.422669D+00 -0.189835D+01 -0.886709D+00
                21            22            23            24            25 
      1  -0.189835D+01 -0.385952D+01 -0.562010D+01 -0.231767D+01 -0.243687D+01
      2  -0.886709D+00 -0.562010D+01 -0.705572D+01 -0.479922D+01 -0.144349D+01
      3  -0.110454D+01 -0.231767D+01 -0.479922D+01 -0.215926D+01 -0.152718D+01
                26            27            28            29            30 
      1  -0.144349D+01 -0.152718D+01 -0.127043D+01 -0.188965D+01 -0.194813D-02
      2  -0.281569D+01 -0.185624D+01 -0.188965D+01  0.123565D+01 -0.194011D+01
      3  -0.185624D+01  0.165597D+01 -0.194813D-02 -0.194011D+01 -0.580566D-02
                31            32            33            34            35 
      1  -0.191077D+01  0.126973D+01  0.195859D+01  0.200292D-01 -0.823725D-02
      2   0.126973D+01  0.191518D+01 -0.101536D-01 -0.823725D-02  0.199728D-01
      3   0.195859D+01 -0.101536D-01  0.358006D-02  0.335741D-04 -0.140447D-02
                36            37            38            39            40 
      1   0.335741D-04 -0.188458D+01  0.733220D+00  0.118941D+01  0.399575D+00
      2  -0.140447D-02  0.733220D+00 -0.551635D+00  0.606058D+00  0.277995D+01
      3   0.690848D-02  0.118941D+01  0.606058D+00  0.195254D+00 -0.827732D+00
                41            42            43            44            45 
      1   0.277995D+01 -0.827732D+00  0.146880D+01 -0.891506D+00  0.701947D+00
      2  -0.111997D+02  0.551216D+01 -0.891506D+00  0.376671D+01 -0.229644D+01
      3   0.551216D+01 -0.241169D+01  0.701947D+00 -0.229644D+01 -0.165990D+01
                46            47            48            49            50 
      1   0.523033D+01  0.543698D+01  0.433322D+01  0.274277D+01  0.339087D+01
      2   0.543698D+01  0.534919D+01  0.263891D+01  0.339087D+01  0.558180D+00
      3   0.433322D+01  0.263891D+01  0.199135D+01  0.121188D+01  0.236054D+01
                51            52            53            54            55 
      1   0.121188D+01  0.243352D+01  0.144224D+01  0.164132D+01 -0.698519D+00
      2   0.236054D+01  0.144224D+01  0.282150D+01  0.176304D+01 -0.315873D+01
      3   0.138382D+01  0.164132D+01  0.176304D+01 -0.165247D+01 -0.300361D+01
                56            57            58            59            60 
      1  -0.315873D+01 -0.300361D+01 -0.467212D+01 -0.514435D+01 -0.133503D+01
      2  -0.399662D+01 -0.614070D+00 -0.514435D+01 -0.236254D+00 -0.361506D+01
      3  -0.614070D+00 -0.109833D+01 -0.133503D+01 -0.361506D+01  0.303358D+00
                61            62            63            64            65 
      1  -0.180460D+01 -0.659429D+00 -0.132383D+01 -0.882163D+01  0.141172D+01
      2  -0.659429D+00 -0.273945D+01  0.367641D+00  0.141172D+01  0.210472D+01
      3  -0.132383D+01  0.367641D+00  0.422461D+00  0.417544D+01 -0.187366D+00
                66            67            68            69            70 
      1   0.417544D+01  0.331096D+01  0.211921D+01 -0.907334D+00  0.279072D+01
      2  -0.187366D+00  0.211921D+01 -0.227050D+01  0.244587D+01 -0.622943D+00
      3  -0.688016D+00 -0.907334D+00  0.244587D+01 -0.910231D+00 -0.825690D+00
                71            72            73            74            75 
      1  -0.622943D+00 -0.825690D+00  0.115282D+02 -0.104643D+01 -0.546971D+01
      2   0.175668D+01 -0.109881D+01 -0.104643D+01 -0.112347D+01  0.254582D+00
      3  -0.109881D+01 -0.423753D+00 -0.546971D+01  0.254582D+00  0.242817D+01
                76            77            78            79            80 
      1   0.228197D+01 -0.103510D+01 -0.117001D+01 -0.396441D+01  0.562085D+00
      2  -0.103510D+01  0.152241D+01 -0.123262D+01  0.562085D+00 -0.127986D+01
      3  -0.117001D+01 -0.123262D+01  0.112824D+00  0.237334D+01 -0.395105D+00
                81            82            83            84            85 
      1   0.237334D+01 -0.127167D+01  0.231398D+01 -0.268761D+01  0.574491D+00
      2  -0.395105D+00  0.231398D+01 -0.722702D+01  0.276865D+01 -0.438919D+01
      3   0.165790D+01 -0.268761D+01  0.276865D+01 -0.131729D+01  0.134394D+01
                86            87            88            89            90 
      1  -0.438919D+01  0.134394D+01 -0.147614D+01  0.883132D+00 -0.847856D+00
      2   0.653654D+01 -0.401529D+01  0.883132D+00 -0.379699D+01  0.224704D+01
      3  -0.401529D+01  0.203583D+01 -0.847856D+00  0.224704D+01  0.165846D+01
                91            92            93            94            95 
      1  -0.112486D+01  0.984374D+00  0.240605D+01  0.342438D-01  0.522966D+01
      2   0.984374D+00  0.360253D+01 -0.120276D+00  0.522966D+01 -0.637304D+01
      3   0.240605D+01 -0.120276D+00  0.114123D+01 -0.835507D+00  0.421985D+01
                96            97            98            99           100 
      1  -0.835507D+00  0.147380D+01 -0.134351D+00  0.136658D+01  0.797832D+01
      2   0.421985D+01 -0.134351D+00  0.307021D+01 -0.159492D+00 -0.396069D+01
      3  -0.135903D+00  0.136658D+01 -0.159492D+00 -0.427586D+00 -0.430510D+01
               101           102           103           104           105 
      1  -0.396069D+01 -0.430510D+01 -0.221350D+01 -0.211509D+01 -0.140736D+00
      2  -0.138422D+01  0.581444D+00 -0.211509D+01  0.599331D+00 -0.230973D+01
      3   0.581444D+00  0.281717D+00 -0.140736D+00 -0.230973D+01 -0.110417D+01
               106           107           108           109           110 
      1  -0.307609D+01 -0.785643D-01  0.342729D+00 -0.850888D+01  0.361402D+01
      2  -0.785643D-01 -0.146313D+01 -0.133308D+01  0.361402D+01  0.383748D+00
      3   0.342729D+00 -0.133308D+01  0.424832D+00  0.452783D+01 -0.110561D+01
               111           112           113           114           115 
      1   0.452783D+01  0.666813D+01 -0.999115D+00 -0.253661D+01  0.394968D+01
      2  -0.110561D+01 -0.999115D+00  0.837830D+00  0.217355D+01 -0.543233D+00
      3  -0.219012D+01 -0.253661D+01  0.217355D+01  0.103313D+01 -0.234382D+01
               116           117           118           119           120 
      1  -0.543233D+00 -0.234382D+01  0.118829D+02  0.190462D+00 -0.321956D+01
      2   0.125848D+01  0.539171D+00  0.190462D+00  0.970252D+00 -0.334750D-02
      3   0.539171D+00 -0.166172D+01 -0.321956D+01 -0.334750D-02  0.210047D+01
               121           122           123           124           125 
      1  -0.242699D+01  0.115730D+01  0.910816D+00 -0.326983D+01 -0.295296D-01
      2   0.115730D+01  0.156255D+00 -0.755161D+00 -0.295296D-01 -0.470701D+00
      3   0.910816D+00 -0.755161D+00 -0.261413D+00  0.260956D+01  0.199877D+00
               126           127           128           129           130 
      1   0.260956D+01  0.215730D+00  0.651376D+00 -0.936961D+00  0.111160D+01
      2   0.199877D+00  0.651376D+00 -0.688626D+00  0.229468D+00  0.502618D+00
      3  -0.154365D+01 -0.936961D+00  0.229468D+00 -0.333092D+00 -0.197390D+00
               131           132           133           134           135 
      1   0.502618D+00 -0.197390D+00 -0.136837D+01 -0.389372D+00  0.438376D+00
      2   0.472042D+01 -0.222043D+01 -0.389372D+00 -0.181931D+01  0.172785D+01
      3  -0.222043D+01  0.231366D+01  0.438376D+00  0.172785D+01 -0.221263D+01
               136           137           138           139           140 
      1   0.614064D+01  0.319840D+01  0.186478D+01  0.516172D+01  0.440840D+01
      2   0.319840D+01  0.266461D+01  0.849632D+00  0.440840D+01  0.447192D+01
      3   0.186478D+01  0.849632D+00  0.150504D+01  0.176395D+01  0.210761D+01
               141           142           143           144           145 
      1   0.176395D+01  0.225769D+01  0.134326D+01  0.218980D+01  0.221020D+01
      2   0.210761D+01  0.134326D+01  0.147980D+01  0.143084D+01 -0.925659D+00
      3   0.148667D+01  0.218980D+01  0.143084D+01  0.154291D+01  0.140048D+01
               146           147           148           149           150 
      1  -0.925659D+00  0.140048D+01 -0.201962D+01  0.165027D+01 -0.829365D+00
      2   0.991301D+00 -0.401538D+00  0.165027D+01 -0.289272D+01  0.175950D+01
      3  -0.401538D+00  0.114947D+01 -0.829365D+00  0.175950D+01 -0.203633D+01
               151           152           153           154           155 
      1   0.191569D+01 -0.317899D+00  0.140091D+01 -0.238054D+01  0.194774D+01
      2  -0.317899D+00  0.127670D+01 -0.110297D+01  0.194774D+01 -0.208841D+01
      3   0.140091D+01 -0.110297D+01  0.221150D+01 -0.979615D+00  0.384741D+00
               156           157           158           159           160 
      1  -0.979615D+00  0.309276D+01 -0.444799D+01  0.129853D+01 -0.119642D+01
      2   0.384741D+00 -0.444799D+01  0.917904D+01 -0.299756D+01  0.122687D+01
      3  -0.824971D+00  0.129853D+01 -0.299756D+01  0.194975D+01 -0.147882D+01
               161           162           163           164           165 
      1   0.122687D+01 -0.147882D+01 -0.373633D+01 -0.775025D+00 -0.188664D+01
      2  -0.254434D+01  0.216019D+01 -0.775025D+00 -0.108475D+01 -0.350061D+00
      3   0.216019D+01 -0.154463D+01 -0.188664D+01 -0.350061D+00 -0.183957D+01
               166           167           168           169           170 
      1  -0.203215D+01 -0.128168D+01 -0.776767D+00 -0.204614D+01 -0.135964D-03
      2  -0.128168D+01 -0.128135D+01 -0.127561D+01 -0.135964D-03 -0.114728D+01
      3  -0.776767D+00 -0.127561D+01 -0.144500D+01 -0.171705D+01 -0.485346D+00
               171           172           173           174           175 
      1  -0.171705D+01 -0.104821D+02  0.371702D+01  0.317722D+01  0.122271D+01
      2  -0.485346D+00  0.371702D+01 -0.226306D+01 -0.100417D+01 -0.143473D+01
      3  -0.221672D+01  0.317722D+01 -0.100417D+01 -0.203868D+01 -0.893780D-01
               176           177           178           179           180 
      1  -0.143473D+01 -0.893780D-01  0.283796D+01 -0.100735D+01 -0.233398D+01
      2   0.157917D+01  0.792230D+00 -0.100735D+01  0.898605D+00  0.118037D+01
      3   0.792230D+00  0.559888D+00 -0.233398D+01  0.118037D+01  0.154088D+01
               181           182           183           184           185 
      1   0.827528D+00  0.107509D+01  0.113540D+01  0.105971D+01  0.541926D+00
      2   0.107509D+01  0.182227D+01  0.677150D+00  0.541926D+00  0.418214D+01
      3   0.113540D+01  0.677150D+00  0.118776D+01  0.248417D+00  0.202418D+01
               186           187           188           189           190 
      1   0.248417D+00  0.116471D+01 -0.119823D+00  0.253926D+00 -0.306108D+01
      2   0.202418D+01 -0.119823D+00  0.203587D+01  0.176478D+01 -0.378553D+01
      3   0.201527D+01  0.253926D+00  0.176478D+01  0.221395D+01 -0.176517D+01
               191           192           193           194           195 
      1  -0.378553D+01 -0.176517D+01 -0.231464D+01 -0.316139D+01 -0.837631D+00
      2  -0.533285D+01 -0.175144D+01 -0.316139D+01 -0.768065D+01 -0.221115D+01
      3  -0.175144D+01 -0.127765D+01 -0.837631D+00 -0.221115D+01 -0.168904D+01
               196           197           198           199           200 
      1  -0.114537D+01 -0.119768D+01 -0.113203D+01  0.344466D+01 -0.160230D+01
      2  -0.119768D+01 -0.259552D+01 -0.235979D+01 -0.160230D+01  0.184695D+01
      3  -0.113203D+01 -0.235979D+01 -0.154405D+01 -0.191433D+01  0.761467D+00
               201           202           203           204           205 
      1  -0.191433D+01 -0.803479D+00  0.848228D+00  0.333672D+00 -0.137180D+01
      2   0.761467D+00  0.848228D+00 -0.170879D+01 -0.124457D+01  0.389438D+00
      3   0.217054D+01  0.333672D+00 -0.124457D+01 -0.870084D+00  0.127749D+01
               206           207           208           209           210 
      1   0.389438D+00  0.127749D+01  0.333521D+00 -0.160308D+01  0.914529D+00
      2  -0.182309D+01 -0.124504D+01 -0.160308D+01  0.360473D+01 -0.121448D+01
      3  -0.124504D+01 -0.221579D+01  0.914529D+00 -0.121448D+01  0.533824D+00
               211           212           213           214           215 
      1  -0.107467D+01  0.103340D+01 -0.301063D+00  0.510674D+00 -0.334521D+00
      2   0.103340D+01 -0.113732D+02  0.305638D+01 -0.334521D+00  0.322637D+01
      3  -0.301063D+00  0.305638D+01 -0.204558D+01  0.143764D+00 -0.261082D+01
               216           217           218           219           220 
      1   0.143764D+00 -0.460555D+01 -0.882059D+00  0.220390D+01  0.233930D+00
      2  -0.261082D+01 -0.882059D+00 -0.125481D+01  0.366054D+00 -0.635946D+00
      3   0.154087D+01  0.220390D+01  0.366054D+00 -0.233948D+01 -0.616165D-01
               221           222           223           224           225 
      1  -0.635946D+00 -0.616165D-01  0.171520D+01  0.436781D+00 -0.165619D+01
      2  -0.554866D+00  0.957376D+00  0.436781D+00  0.148703D+01 -0.662127D+00
      3   0.957376D+00  0.227980D-01 -0.165619D+01 -0.662127D+00  0.221471D+01
               226           227           228           229           230 
      1   0.522768D+01 -0.178604D+01  0.820722D+00 -0.191490D+01  0.103623D+01
      2  -0.178604D+01  0.336110D+01 -0.126144D+01  0.103623D+01 -0.445831D+00
      3   0.820722D+00 -0.126144D+01  0.133268D+01 -0.175683D+00 -0.573933D+00
               231           232           233           234           235 
      1  -0.175683D+00  0.408475D-01  0.102871D+00  0.602965D+00  0.653769D+00
      2  -0.573933D+00  0.102871D+00 -0.195490D+01  0.471111D+00 -0.399838D+00
      3  -0.901258D-01  0.602965D+00  0.471111D+00  0.243987D+00  0.711100D+00
               236           237           238           239           240 
      1  -0.399838D+00  0.711100D+00 -0.489546D+00 -0.462107D+00  0.232932D+00
      2  -0.981548D+00  0.307261D+00 -0.462107D+00  0.134334D+01 -0.150089D+00
      3   0.307261D+00 -0.192903D+00  0.232932D+00 -0.150089D+00  0.676540D+00
               241           242           243           244           245 
      1   0.952642D+00 -0.827514D-01  0.992257D+00 -0.667303D+01 -0.634584D+00
      2  -0.827514D-01  0.201751D+01 -0.121652D+01 -0.634584D+00 -0.216895D+01
      3   0.992257D+00 -0.121652D+01  0.731286D+01 -0.112075D+01 -0.556539D+00
               246           247           248           249           250 
      1  -0.112075D+01  0.128979D+00  0.347294D-01  0.527998D+00  0.328037D+00
      2  -0.556539D+00  0.347294D-01  0.976447D+00  0.879302D+00  0.780386D+00
      3  -0.126523D+01  0.527998D+00  0.879302D+00  0.429044D+00 -0.375214D+00
               251           252           253           254           255 
      1   0.780386D+00 -0.375214D+00 -0.607196D+00  0.643383D+00 -0.394278D+00
      2   0.159541D+01  0.667508D+00  0.643383D+00  0.123107D+01  0.531980D+00
      3   0.667508D+00 -0.238050D+00 -0.394278D+00  0.531980D+00  0.433844D+00
               256           257           258           259           260 
      1   0.361659D+00  0.787006D+00  0.458112D+00 -0.116730D+01 -0.435020D+00
      2   0.787006D+00  0.295203D+00 -0.166140D+00 -0.435020D+00 -0.180232D+01
      3   0.458112D+00 -0.166140D+00  0.551543D+00 -0.138525D+01 -0.743439D+00
               261           262           263           264           265 
      1  -0.138525D+01 -0.416018D+01 -0.184815D+01  0.397517D+00 -0.380215D+01
      2  -0.743439D+00 -0.184815D+01 -0.216628D+01  0.420552D+00 -0.893832D+00
      3  -0.731238D+01  0.397517D+00  0.420552D+00 -0.742942D+00  0.150739D+01
               266           267           268           269           270 
      1  -0.893832D+00  0.150739D+01 -0.154889D+01  0.814378D+00  0.106424D+00
      2  -0.247341D+01 -0.147956D+00  0.814378D+00 -0.372248D+00 -0.757366D+00
      3  -0.147956D+00 -0.111185D+01  0.106424D+00 -0.757366D+00  0.242547D+00
               271           272           273           274           275 
      1   0.122317D+01 -0.940467D+00 -0.170121D+00 -0.443910D+00 -0.506069D+00
      2  -0.940467D+00 -0.323543D+00  0.275699D+00 -0.506069D+00  0.304616D+00
      3  -0.170121D+00  0.275699D+00  0.685530D+00  0.200718D+00  0.729261D+00
               276           277           278           279           280 
      1   0.200718D+00  0.182326D+01 -0.418172D+00 -0.154716D+01  0.200561D+01
      2   0.729261D+00 -0.418172D+00  0.114641D+01 -0.248220D+00  0.483962D+00
      3  -0.169882D+00 -0.154716D+01 -0.248220D+00  0.731292D+01  0.391138D+00
               281           282           283           284           285 
      1   0.483962D+00  0.391138D+00  0.199692D+01  0.160570D+01 -0.314692D+00
      2   0.337130D+01 -0.139835D+01  0.160570D+01  0.509768D+01 -0.631175D+00
      3  -0.139835D+01  0.100359D+01 -0.314692D+00 -0.631175D+00  0.879068D+00
               286           287           288           289           290 
      1   0.602496D+00 -0.938112D+00  0.765402D+00 -0.422225D+00  0.241847D+00
      2  -0.938112D+00  0.132536D+01 -0.823810D-02  0.241847D+00  0.688262D+00
      3   0.765402D+00 -0.823810D-02 -0.238509D+00 -0.653046D+00 -0.310342D+00
               291           292           293           294           295 
      1  -0.653046D+00 -0.187041D-02  0.115022D+01 -0.383259D+00 -0.126685D+01
      2  -0.310342D+00  0.115022D+01 -0.864525D+00  0.883615D-01  0.492067D+00
      3   0.264573D+00 -0.383259D+00  0.883615D-01 -0.646685D+00  0.505073D-01
               296           297           298           299           300 
      1   0.492067D+00  0.505073D-01 -0.122133D+01 -0.142976D+00 -0.845837D+00
      2  -0.170490D+01  0.157473D+01 -0.142976D+00 -0.104146D+01 -0.789251D+00
      3   0.157473D+01 -0.731231D+01 -0.845837D+00 -0.789251D+00 -0.591282D+00
               301           302           303           304           305 
      1   0.193151D+01  0.143195D-01  0.298172D+00 -0.136955D+01 -0.917979D+00
      2   0.143195D-01  0.667749D+01  0.109701D+01 -0.917979D+00 -0.543510D+00
      3   0.298172D+00  0.109701D+01  0.119889D+01 -0.709255D+00  0.285005D+00
               306           307           308           309           310 
      1  -0.709255D+00  0.364829D-01 -0.632855D+00  0.297790D+00 -0.104151D+01
      2   0.285005D+00 -0.632855D+00 -0.617372D+00 -0.470978D+00 -0.952827D+00
      3   0.242757D+00  0.297790D+00 -0.470978D+00 -0.491143D+00 -0.546417D+00
               311           312           313           314           315 
      1  -0.952827D+00 -0.546417D+00  0.167778D+01  0.501292D+00  0.556752D+00
      2   0.325661D+00  0.259962D+00  0.501292D+00  0.129050D+01  0.146195D+01
      3   0.259962D+00 -0.511335D+00  0.556752D+00  0.146195D+01  0.731289D+01
               316           317           318           319           320 
      1   0.123592D+01 -0.143989D+01  0.365626D+00 -0.372290D+01  0.179376D+01
      2  -0.143989D+01  0.222881D+01  0.331401D+00  0.179376D+01 -0.447800D+01
      3   0.365626D+00  0.331401D+00  0.261925D+00  0.141796D+01 -0.610680D+00
               321           322           323           324           325 
      1   0.141796D+01  0.194638D+01  0.158466D+00 -0.388425D+00 -0.152427D+01
      2  -0.610680D+00  0.158466D+00 -0.365045D-01 -0.659830D+00  0.127711D+00
      3  -0.130872D+01 -0.388425D+00 -0.659830D+00 -0.242444D+00  0.205993D+00
               326           327           328           329           330 
      1   0.127711D+00  0.205993D+00  0.652326D+00  0.622995D+00 -0.184906D+00
      2   0.645283D+00 -0.110219D+00  0.622995D+00 -0.440805D+00 -0.765414D+00
      3  -0.110219D+00 -0.695447D+00 -0.184906D+00 -0.765414D+00  0.102205D+00
               331           332           333 
      1  -0.202042D+01 -0.571087D-01  0.133537D+01
      2  -0.571087D-01 -0.949857D+00 -0.824422D+00
      3   0.133537D+01 -0.824422D+00 -0.731279D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.110967D+02 -0.567639D+01  0.532276D+01 -0.515589D+01  0.604678D+00
      2   0.244187D+00  0.245758D+01  0.334106D+01  0.161951D+01  0.176750D+01
      3  -0.925382D+01  0.162061D+01  0.941895D+01  0.593635D+01  0.683183D+01
                 6             7             8             9            10 
      1  -0.909430D+01 -0.227948D+00 -0.227460D+01 -0.140213D+00  0.476967D+01
      2   0.102594D+01  0.430694D+00 -0.485338D+00 -0.410593D+00 -0.303603D+01
      3   0.158250D+01  0.101451D+02  0.174523D+01 -0.327273D+01  0.958546D+01
                11            12            13            14            15 
      1  -0.807928D+01 -0.673683D+01 -0.730340D+01  0.572184D+01 -0.674958D+01
      2   0.192088D+01  0.570387D+01  0.248391D+01  0.872462D+00  0.368165D+00
      3  -0.516023D+01 -0.810267D+01 -0.805373D+00 -0.715100D+01  0.506161D+01
                16            17            18            19            20 
      1  -0.390578D+00 -0.191211D+01 -0.406624D-01  0.444579D+00 -0.126412D+01
      2   0.799063D+00  0.109373D+01 -0.435648D+00  0.188096D+02  0.132823D+02
      3  -0.870978D+01  0.548180D+01  0.327686D+01 -0.209687D+02 -0.171955D+02
                21            22            23            24            25 
      1   0.317776D+01 -0.816937D+00 -0.142855D+02  0.223792D+01  0.110027D+02
      2   0.868450D+01  0.418656D+01 -0.528746D+00 -0.301586D+01 -0.969316D+01
      3  -0.849756D+01  0.660464D+00  0.130702D+02  0.186859D+01 -0.301855D+01
                26            27            28            29            30 
      1   0.180896D+02  0.179898D+02  0.208549D+01  0.331961D+01  0.753390D-01
      2  -0.114948D+02 -0.161420D+02  0.295197D+01 -0.206940D+01 -0.140184D+01
      3   0.260530D+01 -0.787507D+00 -0.111484D+00  0.350680D+00 -0.334165D-01
                31            32            33            34            35 
      1   0.298993D+01 -0.213691D+01  0.141703D+01  0.161019D+00  0.480985D+00
      2  -0.205558D+01 -0.318441D+01  0.110498D+00 -0.217209D+00 -0.113419D-01
      3  -0.428388D+00 -0.216899D-01  0.178237D+00  0.889437D-01  0.987493D-01
                36            37            38            39            40 
      1  -0.905687D-01  0.464218D+01 -0.276613D+01  0.154584D+01  0.105915D+01
      2  -0.214386D+00  0.872968D+01 -0.178263D+02  0.926953D+01 -0.960347D+01
      3  -0.116814D+00  0.101772D+02 -0.268093D+02  0.857723D+01 -0.897660D+01
                41            42            43            44            45 
      1   0.150191D+02  0.289980D+01 -0.478533D+01  0.248643D+02 -0.228311D+02
      2   0.293206D+01 -0.176373D+01 -0.298403D+01  0.523112D+01 -0.799200D+01
      3  -0.214117D+01 -0.153858D+01  0.379371D+01  0.123493D+01  0.817749D+00
                46            47            48            49            50 
      1   0.606455D+00 -0.172112D+01  0.429848D+01 -0.107775D+02 -0.205511D+02
      2   0.139594D+02  0.253267D+01 -0.122583D+01  0.170046D+01 -0.267471D+01
      3  -0.145712D+02 -0.537938D+01 -0.297050D+01  0.125253D+02  0.224802D+02
                51            52            53            54            55 
      1  -0.771682D+01  0.122183D+02  0.127903D+02  0.183379D+02  0.778690D+00
      2  -0.445750D+01 -0.151429D+02 -0.117514D+02 -0.157361D+02 -0.764998D+01
      3   0.819568D+01 -0.292746D+01  0.264956D+01  0.796198D+00  0.607669D+01
                56            57            58            59            60 
      1  -0.380728D+01 -0.395762D+00 -0.334739D+01  0.272457D+01 -0.664154D+01
      2   0.646386D+01  0.579282D+01  0.731747D+01 -0.243169D+01  0.674562D+01
      3   0.291538D+01 -0.607385D+01  0.726142D+01 -0.850402D+01  0.735675D+01
                61            62            63            64            65 
      1  -0.121572D+01 -0.998097D+00  0.424388D+00 -0.945741D+00 -0.218103D+01
      2   0.168653D+01  0.506094D+00  0.101064D+00 -0.193472D+01  0.318308D+01
      3  -0.658267D+01  0.790328D+01 -0.327769D+01 -0.553767D+01 -0.791253D+01
                66            67            68            69            70 
      1  -0.184094D+01 -0.308409D+01 -0.239526D+01 -0.289064D+01  0.227898D+00
      2   0.954298D+01  0.360055D+01  0.120727D+02 -0.450239D+01  0.227673D+01
      3  -0.339688D+00 -0.356646D+01  0.799354D+01 -0.953080D+01 -0.406700D+00
                71            72            73            74            75 
      1  -0.433947D+00  0.396339D+00 -0.449527D+01  0.101158D+02  0.318599D+01
      2   0.459276D+00  0.181739D+00 -0.157912D+02 -0.108819D+01 -0.222424D+01
      3  -0.102763D+02  0.329359D+01 -0.254390D+01  0.996092D+01  0.256214D+01
                76            77            78            79            80 
      1   0.177992D+02 -0.434148D+01 -0.863321D+01 -0.218715D+01  0.201986D+01
      2   0.365878D+01 -0.518748D+01 -0.313153D+01 -0.258490D+02  0.163137D+01
      3   0.277837D+02 -0.524549D+01 -0.833523D+01 -0.709122D+00 -0.398584D+01
                81            82            83            84            85 
      1   0.503318D+01  0.204349D+01  0.395958D+01 -0.616093D+01 -0.399872D+01
      2   0.237070D+02  0.100392D+02 -0.100830D+02  0.318256D+01 -0.586535D+01
      3  -0.752723D+00  0.117516D+02 -0.194713D+02  0.588785D+01 -0.166119D+01
                86            87            88            89            90 
      1   0.207361D+02 -0.325667D+01 -0.953619D+01  0.215724D+02 -0.229631D+02
      2  -0.721286D+01  0.631257D+01 -0.628513D+01  0.907085D+01 -0.750492D+01
      3  -0.196019D+02  0.640659D+01  0.372616D+01  0.132384D+01 -0.808482D+00
                91            92            93            94            95 
      1  -0.778824D+01 -0.420522D+01 -0.955128D+00 -0.409210D+01  0.701837D+00
      2  -0.946187D+01 -0.114169D+01  0.340749D+01 -0.208015D+01  0.154329D+01
      3  -0.364679D+00  0.651725D+01  0.844112D+01  0.108874D+02  0.286146D+01
                96            97            98            99           100 
      1  -0.904909D+01  0.118188D+01 -0.172059D+01 -0.353789D+00 -0.152966D+01
      2  -0.542875D+01  0.956180D+00 -0.503344D+00  0.267924D+00 -0.187176D+01
      3   0.446393D+01  0.909238D+01  0.480842D+01  0.330360D+01 -0.475535D+00
               101           102           103           104           105 
      1   0.207173D+00  0.460809D+01 -0.780811D+00  0.848692D+01 -0.289614D+01
      2   0.289228D+01  0.953424D+01  0.284867D+01  0.993669D+01  0.177514D+01
      3  -0.110265D+02 -0.331926D+01 -0.670405D+01 -0.197830D+01 -0.893243D+01
               106           107           108           109           110 
      1   0.396079D+00 -0.774947D+00 -0.314042D+00  0.746834D+01  0.758285D+01
      2   0.194244D+01 -0.108114D+01  0.301361D+00 -0.195473D+02  0.258132D+01
      3  -0.353158D+01 -0.966601D+01 -0.329801D+01  0.163899D+02  0.537447D+01
               111           112           113           114           115 
      1  -0.620367D+01  0.128686D+02 -0.727284D+01 -0.486310D+01 -0.681052D+01
      2   0.159515D+01 -0.477487D+01 -0.331798D+01  0.596451D+01 -0.237778D+02
      3  -0.561891D+01  0.233138D+02 -0.844436D+01 -0.674882D+01 -0.939492D+00
               116           117           118           119           120 
      1   0.414289D+01  0.453693D+01  0.113823D+01 -0.161855D+01 -0.181750D+01
      2   0.727057D+01  0.238713D+02  0.295586D+01  0.956118D+00  0.546609D+01
      3  -0.397320D+01  0.823337D+00  0.688735D+01 -0.543894D+01 -0.285236D+01
               121           122           123           124           125 
      1  -0.261022D+00  0.107167D+01 -0.310813D+00 -0.129330D+01  0.138518D+01
      2  -0.341315D+01 -0.187157D+01  0.601521D+00  0.264516D+01 -0.339641D+00
      3  -0.218733D+01  0.176819D+01  0.245754D+01 -0.727609D+00  0.298343D+01
               126           127           128           129           130 
      1   0.774303D+00  0.720242D+00  0.102713D+01  0.740259D+00 -0.165100D+00
      2  -0.258823D+01 -0.439891D+01  0.146340D+01 -0.229328D+01  0.842542D+00
      3   0.102042D+01 -0.338577D+01  0.336303D+01 -0.195149D+01  0.259884D+01
               131           132           133           134           135 
      1  -0.309006D+01 -0.187142D+01 -0.877755D-01  0.112957D+01  0.865097D+00
      2  -0.680029D+01  0.761319D+01 -0.199073D+01  0.543435D+01 -0.638108D+01
      3  -0.150787D+02  0.712063D+01 -0.457338D+00  0.574505D+01 -0.580407D+01
               136           137           138           139           140 
      1   0.150987D+00  0.103856D+01 -0.156950D+01  0.262770D+01  0.226655D+01
      2   0.143461D+00  0.212144D+00  0.471891D+01 -0.408058D+01  0.343655D+00
      3  -0.131167D+01 -0.508460D+01 -0.766072D+00 -0.183825D+01 -0.736672D+01
               141           142           143           144           145 
      1  -0.105577D+01 -0.100400D+01  0.351556D+00 -0.958682D+00 -0.275828D+01
      2   0.278769D+01  0.160800D+01  0.264263D+01  0.252095D+01  0.313311D+01
      3  -0.368870D+01  0.123458D+01 -0.281082D+01 -0.102561D+01  0.483149D+01
               146           147           148           149           150 
      1   0.125949D+01 -0.127086D+01  0.256108D+01 -0.593100D+01  0.299724D+01
      2   0.241248D+00  0.258740D+01  0.489335D+00  0.429840D+01 -0.707431D+01
      3  -0.453999D+01  0.279218D+01 -0.527291D+01  0.136126D+02 -0.683980D+01
               151           152           153           154           155 
      1  -0.154122D+01  0.412222D+01 -0.319704D+01  0.135325D+01 -0.488623D+00
      2   0.100804D+01 -0.380087D+01  0.558427D+01  0.109408D+01 -0.550470D+00
      3   0.312869D+01 -0.485065D+01  0.579989D+01 -0.259743D+00 -0.192610D+01
               156           157           158           159           160 
      1   0.222632D+01  0.261183D+01 -0.340432D+01 -0.312865D+01  0.117072D+01
      2   0.264436D+01  0.280811D+01  0.262204D+00 -0.344294D+01  0.360006D-01
      3  -0.703741D+00  0.132708D+01  0.889664D+01 -0.369592D+01 -0.222134D+01
               161           162           163           164           165 
      1  -0.123039D+01  0.185860D+01  0.539238D+01  0.178601D+01  0.409423D+01
      2  -0.280291D+01  0.196855D+01  0.107426D+01 -0.448003D+00  0.381870D+01
      3  -0.212258D+01  0.102057D+01 -0.957036D+01 -0.619636D+01 -0.519241D+01
               166           167           168           169           170 
      1   0.290144D+01  0.548429D+01  0.423463D+01  0.368567D+01  0.417653D+01
      2  -0.116152D+01  0.246838D+01  0.425479D+01  0.104635D+01  0.166869D+01
      3  -0.693089D+01 -0.886896D+01 -0.525152D+01 -0.475180D+01 -0.327797D+01
               171           172           173           174           175 
      1   0.510576D+01 -0.462112D+00 -0.237409D+01  0.328051D+01  0.555394D+00
      2   0.395365D+01  0.357616D+01 -0.228776D+01  0.385713D+01  0.123931D+01
      3  -0.581102D+01 -0.885140D+01 -0.251779D+01  0.357462D+01  0.734925D+00
               176           177           178           179           180 
      1  -0.116577D+01 -0.191921D+01  0.257555D+01  0.460550D+00 -0.169692D+01
      2  -0.172210D+01 -0.207000D+01  0.171630D+01 -0.939772D+00 -0.208467D+01
      3   0.170950D+00  0.117742D+01  0.181375D+01  0.247680D+01 -0.102220D+01
               181           182           183           184           185 
      1  -0.198530D+01  0.130791D+01 -0.319625D+01  0.445760D+00 -0.787307D-01
      2  -0.519692D+01 -0.269574D+01 -0.411214D+01 -0.168992D+01 -0.606566D+01
      3   0.717616D+01  0.663820D+01  0.452924D+01  0.592179D+01  0.112781D+02
               186           187           188           189           190 
      1  -0.371973D+01 -0.102251D+01 -0.687105D+00 -0.325169D+01 -0.605833D+00
      2  -0.514898D+01 -0.382182D+01 -0.432810D+01 -0.556951D+01 -0.184849D+01
      3   0.584460D+01  0.264143D+01  0.514332D+01  0.580395D+01  0.635354D+01
               191           192           193           194           195 
      1   0.432609D+01 -0.223779D+01 -0.138235D+00  0.443010D+00 -0.522486D+01
      2  -0.228959D+01  0.552217D+00 -0.128037D+01 -0.609176D+00  0.101980D+01
      3   0.249486D+01  0.355562D+01  0.574699D+01  0.230196D+01  0.124154D+01
               196           197           198           199           200 
      1  -0.232421D+01 -0.204628D+01 -0.262630D+01 -0.499280D+01 -0.350169D+00
      2  -0.790631D+00  0.690955D+00  0.621613D+00  0.579738D+01 -0.213508D+01
      3   0.294811D+01 -0.860826D+00  0.102072D+01 -0.147566D+02  0.394071D+01
               201           202           203           204           205 
      1   0.770253D+01 -0.286764D+00 -0.353514D+01 -0.173071D+01  0.442816D+01
      2  -0.215117D+01 -0.798973D+00  0.188104D+01  0.651662D+00 -0.374044D+01
      3   0.714732D+01  0.319618D+01 -0.371803D+01 -0.187004D+01  0.521458D+01
               206           207           208           209           210 
      1  -0.611186D+00 -0.597324D+01  0.162826D+01  0.393766D+01  0.111131D+00
      2   0.921835D+00  0.244039D+01 -0.111332D+01  0.759165D+00  0.861392D-01
      3  -0.247575D+01 -0.580489D+01 -0.285401D+01  0.272204D+01 -0.280796D+01
               211           212           213           214           215 
      1  -0.574965D+00 -0.242191D+01 -0.568800D+01  0.880478D+00 -0.269904D+01
      2   0.153222D+01 -0.121900D+01  0.110477D+01 -0.143935D+01  0.756173D+00
      3   0.597633D+01 -0.581663D+01  0.250468D+01 -0.305157D+01  0.331785D+00
               216           217           218           219           220 
      1   0.265933D+01  0.660499D+01 -0.586525D+00 -0.805285D+01 -0.102176D+01
      2  -0.428938D+00  0.404428D+01  0.600443D+00  0.918991D+00 -0.644210D+00
      3  -0.102084D+01  0.156839D+02 -0.100386D+01 -0.732445D+01 -0.170303D+01
               221           222           223           224           225 
      1   0.418308D+01  0.130769D+01 -0.546001D+01  0.127251D+01  0.645584D+01
      2  -0.216391D+00 -0.297253D+00 -0.187022D+01  0.103726D+00 -0.370429D-01
      3   0.277355D+01  0.996153D+00 -0.578095D+01 -0.273218D+00  0.580962D+01
               226           227           228           229           230 
      1  -0.470587D+00  0.372239D+01  0.884897D+00  0.114264D+01  0.576669D+00
      2  -0.897143D+01  0.348732D+01 -0.207557D+00  0.122503D+01 -0.399134D+00
      3  -0.118776D+02  0.135265D+01 -0.194167D+01  0.194483D+01 -0.944431D+00
               231           232           233           234           235 
      1  -0.182216D+01  0.186617D+01 -0.246692D+01  0.768098D+00  0.179723D+01
      2  -0.578402D+00  0.139848D+01 -0.184158D+01 -0.322302D+00  0.279807D-01
      3  -0.393301D+00  0.180687D+01 -0.599315D-02 -0.650702D+00 -0.556996D+00
               236           237           238           239           240 
      1  -0.315296D+00 -0.380283D+00  0.121511D+01  0.907715D+00  0.292946D+01
      2   0.530631D+00 -0.124738D+01  0.170003D+00 -0.187487D+01  0.155573D+01
      3  -0.188875D+00 -0.180024D+01  0.374456D+00 -0.171832D+01 -0.153611D+00
               241           242           243           244           245 
      1   0.275741D+01  0.847416D+00  0.153788D+02 -0.171739D+01  0.257044D+01
      2  -0.154479D+01 -0.146894D+01  0.432586D+01 -0.942616D+01 -0.859033D+00
      3  -0.195207D+01 -0.193003D+01 -0.168010D+01  0.114215D+02 -0.298842D+01
               246           247           248           249           250 
      1  -0.135973D+01  0.101537D+01 -0.192686D+01 -0.987808D+00 -0.170675D+01
      2   0.553040D+00  0.229412D+01  0.814004D+00  0.106428D+01  0.287090D+01
      3   0.168134D+01 -0.242370D+01  0.136602D+01 -0.110021D+01 -0.169199D+01
               251           252           253           254           255 
      1  -0.974876D+00 -0.813649D+00 -0.141808D+01 -0.533921D+00  0.687433D+00
      2   0.167540D+01 -0.174114D-01  0.439468D-01 -0.985140D+00 -0.217202D+01
      3   0.692823D+00  0.660202D+00  0.813033D+00  0.193717D+00  0.159868D+01
               256           257           258           259           260 
      1   0.101225D+01 -0.171040D+01  0.199469D+01 -0.239306D+01  0.246358D+01
      2  -0.119953D+01 -0.738655D+00 -0.187601D+01  0.853053D-01  0.109187D+01
      3   0.755320D+00  0.145655D+01 -0.831556D+00  0.105731D+01 -0.253907D+01
               261           262           263           264           265 
      1  -0.125536D+02 -0.309467D+01 -0.302546D+01  0.705064D+00 -0.373490D+01
      2   0.985537D+01  0.385722D+01  0.213688D+01  0.187613D+01  0.556147D+01
      3   0.169293D+01 -0.514786D+01 -0.579785D+01  0.691877D+00 -0.525588D+01
               266           267           268           269           270 
      1  -0.509635D+01  0.356006D+00 -0.443084D+00 -0.327077D-01 -0.659598D+00
      2   0.732553D+00 -0.364311D+00  0.377333D+01  0.502284D+00 -0.471576D+00
      3  -0.775307D+01  0.188791D+01 -0.903942D+00 -0.159612D+01 -0.674224D+00
               271           272           273           274           275 
      1  -0.181946D+01  0.102171D+01  0.350504D+00 -0.572340D-01 -0.110366D+01
      2   0.194985D+00  0.838489D-01 -0.335370D+01 -0.102297D+01 -0.162317D+01
      3  -0.149811D+01  0.165344D+00  0.765284D+00  0.733648D+00 -0.776006D+00
               276           277           278           279           280 
      1   0.823444D+00 -0.135021D+00  0.320993D+01 -0.394817D+01 -0.339855D+00
      2   0.829425D+00  0.808508D+00  0.142305D+01 -0.154655D+02  0.414239D+01
      3   0.162955D+01 -0.707676D+00  0.265145D+01 -0.167424D+01  0.620944D+01
               281           282           283           284           285 
      1  -0.550334D+01  0.631960D+00 -0.195571D+01 -0.529605D+01 -0.168734D+01
      2   0.320488D+01 -0.165402D+00  0.293813D+01  0.329781D+01 -0.952061D+00
      3   0.542104D+01 -0.178867D+01  0.595137D+01  0.657484D+01 -0.917212D+00
               286           287           288           289           290 
      1  -0.845303D-02 -0.386174D+01  0.380211D+00  0.127928D+01  0.124189D+01
      2  -0.938418D-02 -0.311228D-01  0.712331D+00  0.141770D+01  0.163895D+00
      3   0.144985D+01  0.113611D+01  0.659979D+00  0.895279D+00 -0.803371D+00
               291           292           293           294           295 
      1  -0.116959D+01  0.270540D+00 -0.301068D+00  0.322778D+01 -0.878838D+00
      2  -0.936002D+00 -0.105969D+01  0.167132D+01 -0.300296D-01 -0.333429D+01
      3  -0.152286D+01 -0.234931D+00  0.137565D+01 -0.964704D+00 -0.272294D+01
               296           297           298           299           300 
      1  -0.967810D+00  0.148163D+02 -0.756871D+00 -0.345432D+01 -0.106700D+01
      2  -0.427168D+00  0.594594D+01  0.232895D+01 -0.138756D+01  0.663616D+00
      3   0.345970D+00  0.169807D+01 -0.225965D+01  0.363104D+01  0.130968D+01
               301           302           303           304           305 
      1  -0.992077D-01  0.880570D+01 -0.854115D+00 -0.136535D+01 -0.327747D+01
      2  -0.250868D+01  0.243324D+01  0.138565D+01  0.570174D+00  0.140923D+01
      3   0.416944D+01 -0.105468D+02 -0.154255D+01 -0.902415D+00  0.158722D+01
               306           307           308           309           310 
      1  -0.891174D-01  0.202056D+00  0.137030D+01  0.180756D+01  0.954911D+00
      2   0.812119D+00  0.187440D+01 -0.792792D+00 -0.167161D+01  0.723834D+00
      3  -0.664414D+00 -0.134422D+01 -0.828236D+00  0.102836D+01 -0.254539D+00
               311           312           313           314           315 
      1   0.211626D-01  0.252077D+01 -0.697851D+00 -0.442603D+00 -0.114221D+02
      2   0.139058D+01 -0.632748D+00 -0.288814D+01  0.198888D+01  0.111547D+02
      3  -0.919266D+00 -0.147928D+01  0.264805D+01 -0.715137D+00 -0.167382D+01
               316           317           318           319           320 
      1   0.112746D+01 -0.205687D+01  0.284248D+00 -0.401622D+01  0.811488D+01
      2   0.284658D+00 -0.144517D+01  0.192351D+01 -0.438333D+01  0.821420D+00
      3   0.151495D+01 -0.327475D+01  0.126149D+00 -0.273895D+01  0.112154D+02
               321           322           323           324           325 
      1   0.425995D+00  0.164858D+01 -0.909310D+00  0.405970D+00  0.204357D+01
      2  -0.535955D+00  0.291741D+01 -0.165304D+01 -0.720402D+00 -0.478859D+00
      3   0.204261D+01  0.252527D+00 -0.177171D+01  0.638880D+00  0.173193D+01
               326           327           328           329           330 
      1   0.213086D+00 -0.130631D+01 -0.360826D+00  0.175876D+00  0.101569D+01
      2  -0.107033D+01 -0.315474D+01  0.382329D+00 -0.186140D+01  0.131810D+00
      3  -0.250086D+00 -0.785991D-01  0.316679D+00  0.564599D+00  0.179793D+01
               331           332           333 
      1   0.131568D+01  0.207429D+01 -0.226454D+01
      2  -0.330430D+00 -0.260892D+01 -0.158040D+02
      3   0.165492D+01  0.218616D+01  0.168352D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.658466D+01 -0.138032D+02  0.780862D+01 -0.979441D+01  0.302417D+02
      2   0.108592D+02  0.247904D+02 -0.859150D+01  0.183910D+02 -0.443121D+02
      3  -0.427452D+01 -0.109872D+02  0.782875D+00 -0.859658D+01  0.140704D+02
      4  -0.100277D+02  0.596917D+01  0.127611D+02  0.630938D+01  0.121014D+02
      5   0.834217D+01  0.440887D+00 -0.767263D+01 -0.288327D+01 -0.304885D+01
      6   0.143642D+02 -0.890779D+01 -0.552362D+01 -0.392053D+01  0.266411D+02
                 6             7             8             9            10 
      1  -0.137312D+02  0.649517D+01 -0.870198D+01 -0.114066D+01  0.121340D+02
      2   0.254961D+02 -0.684979D+01  0.172460D+02 -0.291349D+01 -0.174358D+02
      3  -0.117649D+02  0.354623D+00 -0.854402D+01  0.405415D+01  0.530184D+01
      4   0.259042D+00  0.107677D+02 -0.231167D+01 -0.405944D+01  0.967057D+00
      5  -0.892229D+00 -0.641391D+01 -0.196045D+00  0.992635D+00 -0.941155D+00
      6  -0.691466D+01 -0.369412D+01 -0.720336D+01 -0.291138D+01 -0.220122D+02
                11            12            13            14            15 
      1   0.118262D+02 -0.196782D+00  0.959095D+01  0.169298D+01  0.894014D+01
      2  -0.264202D+02 -0.504547D+01 -0.218054D+02 -0.614746D+01 -0.195014D+02
      3   0.145940D+02  0.524225D+01  0.122145D+02  0.445448D+01  0.105613D+02
      4  -0.242234D+02 -0.189399D+02 -0.203083D+02 -0.226003D+02 -0.698933D+01
      5  -0.880483D+01 -0.530504D+01 -0.382544D+01 -0.985873D+01  0.204581D+00
      6  -0.868964D+01  0.483227D+01 -0.535893D+01 -0.179161D+02 -0.931343D+01
                16            17            18            19            20 
      1  -0.157149D+01  0.420363D+01  0.148282D+01 -0.183629D+02 -0.500456D+01
      2  -0.203859D+01 -0.119665D+02 -0.555831D+01  0.124112D+02  0.703366D+01
      3   0.361008D+01  0.776291D+01  0.407549D+01  0.595167D+01 -0.202910D+01
      4  -0.155359D+02 -0.529044D+01  0.222872D+01 -0.805327D+01  0.502931D+01
      5  -0.516083D+01 -0.662651D+00  0.203145D+01 -0.448275D+01  0.255519D+01
      6   0.283367D+01 -0.849446D+01  0.230650D+01  0.464148D+01  0.267320D+01
                21            22            23            24            25 
      1  -0.245331D+01 -0.100830D+02 -0.132655D+02 -0.110420D+02 -0.102141D+01
      2   0.387030D+00  0.150643D+02  0.130975D+02  0.130557D+02  0.207493D+01
      3   0.206628D+01 -0.498136D+01  0.168002D+00 -0.201370D+01 -0.105352D+01
      4   0.197615D+01  0.784995D+01  0.112106D+02  0.558907D+01  0.256811D+00
      5   0.394369D+01  0.170581D+01  0.902800D+01  0.206489D+01  0.301904D+01
      6   0.223625D+01  0.459745D+01  0.952234D+01  0.723049D+01 -0.147725D+00
                26            27            28            29            30 
      1  -0.564718D+01  0.361410D+01 -0.918860D+01 -0.149620D-01 -0.540749D+01
      2   0.517553D+01  0.124761D+02  0.315122D+01  0.223931D-01  0.541712D+01
      3   0.471646D+00 -0.160902D+02  0.603738D+01 -0.743107D-02 -0.963045D-02
      4   0.372159D+01 -0.912525D-01  0.720519D-02 -0.606904D+01  0.359484D+01
      5   0.560000D+00 -0.453351D+01 -0.327609D+01  0.220916D+01 -0.324862D+01
      6   0.571303D+01 -0.709223D+01  0.220417D+01  0.336689D+01 -0.169148D-01
                31            32            33            34            35 
      1   0.242353D-01  0.314264D+01  0.356428D+01 -0.766949D+01  0.513975D+01
      2  -0.374484D-01 -0.919364D+01 -0.357368D+01  0.768798D+01 -0.514058D+01
      3   0.132131D-01  0.605100D+01  0.940254D-02 -0.184886D-01  0.830121D-03
      4  -0.620248D+01  0.112418D-01  0.544051D+01  0.517389D+01  0.765455D+01
      5   0.216585D+01  0.332446D+01  0.547317D-01  0.372282D+01 -0.443309D-02
      6   0.332948D+01 -0.218233D+01 -0.325454D+01  0.465315D-02  0.365544D+01
                36            37            38            39            40 
      1   0.155177D+00 -0.286894D+01  0.820203D+00  0.119705D+01  0.595892D+01
      2   0.854284D-01 -0.469517D+01  0.201899D+00 -0.388475D+01 -0.787148D+01
      3  -0.240605D+00  0.756411D+01 -0.102210D+01  0.268770D+01  0.191256D+01
      4   0.348355D-02  0.129146D+02 -0.546318D+01 -0.208744D+01 -0.808531D+01
      5  -0.326312D-01 -0.479193D+01  0.258443D+01  0.291665D+01  0.412389D+01
      6   0.269981D-01 -0.102508D+01 -0.118713D+01 -0.451890D+00  0.247712D+00
                41            42            43            44            45 
      1  -0.226070D+02  0.119269D+02  0.185620D+01  0.643041D+01  0.498164D+01
      2   0.240695D+02 -0.130001D+02 -0.727444D+00 -0.638978D+01  0.111018D+02
      3  -0.146243D+01  0.107320D+01 -0.112875D+01 -0.406326D-01 -0.160834D+02
      4   0.499568D+01 -0.407069D+01  0.406670D+00 -0.143932D+01  0.319539D+01
      5   0.355139D+01 -0.296135D+00  0.325673D+01  0.471425D+00 -0.144802D+01
      6  -0.137974D+02  0.826441D+01  0.116307D+01  0.544332D+01  0.831334D+01
                46            47            48            49            50 
      1   0.744001D+01  0.116970D+02  0.111254D+02  0.469155D+01  0.162856D+02
      2  -0.863982D+01 -0.610123D+01 -0.884166D+01 -0.203643D+01 -0.212080D+02
      3   0.119981D+01 -0.559577D+01 -0.228379D+01 -0.265512D+01  0.492239D+01
      4   0.116988D+02  0.128443D+02  0.815806D+01  0.848105D+01 -0.121856D+01
      5   0.734364D+01  0.460826D+01  0.660021D+01  0.259679D+01  0.611388D+01
      6   0.927244D+01  0.401101D+01  0.241503D+01  0.464281D+01 -0.294948D+01
                51            52            53            54            55 
      1   0.129636D+01  0.370096D+01  0.245891D+01  0.123457D+02  0.417148D+01
      2  -0.311517D+01 -0.430426D+01 -0.152076D+01  0.375496D+01 -0.515434D+01
      3   0.181881D+01  0.603297D+00 -0.938154D+00 -0.161006D+02  0.982863D+00
      4   0.338130D+01  0.487062D+01  0.125781D+01  0.107140D+01 -0.157222D+02
      5   0.262628D+01  0.562623D+01  0.209274D+00 -0.646300D+01 -0.149587D+02
      6   0.456325D+01  0.892169D+00  0.311494D+01 -0.538149D+01 -0.100841D+02
                56            57            58            59            60 
      1  -0.131274D+02 -0.170474D+02 -0.166272D+02 -0.215213D+02 -0.228258D+01
      2   0.149846D+01  0.725110D+01  0.261194D+01  0.127285D+02 -0.428291D+01
      3   0.116289D+02  0.979631D+01  0.140152D+02  0.879275D+01  0.656549D+01
      4  -0.253780D+02 -0.785315D+01 -0.300759D+02 -0.100139D+02 -0.201157D+02
      5  -0.388364D+01 -0.988336D+01 -0.655723D+01 -0.231959D+02  0.422274D+01
      6  -0.532203D+01 -0.385687D+00 -0.107028D+02 -0.582371D+01 -0.471406D+01
                61            62            63            64            65 
      1  -0.104900D+02  0.653383D+00 -0.599726D+01 -0.501713D+02  0.788322D+01
      2   0.325914D+01 -0.523531D+01  0.193062D+01  0.338931D+02 -0.200654D+01
      3   0.723090D+01  0.458192D+01  0.406664D+01  0.162782D+02 -0.587669D+01
      4  -0.515737D+01 -0.158721D+02  0.124020D+01 -0.810981D+00  0.106461D+02
      5  -0.871453D+01  0.235943D+01  0.202293D+01  0.281956D+02 -0.153776D+01
      6  -0.112317D+01 -0.493553D+01  0.231006D+01  0.116416D+01 -0.456616D+01
                66            67            68            69            70 
      1   0.260830D+02  0.141951D+02  0.172100D+02 -0.829761D+01  0.185078D+02
      2  -0.143127D+02 -0.593497D+01 -0.106970D+02  0.904846D+01 -0.997936D+01
      3  -0.117702D+02 -0.826012D+01 -0.651299D+01 -0.750848D+00 -0.852842D+01
      4   0.394914D+01  0.116705D+02 -0.458486D+01  0.107940D+02 -0.171164D-01
      5  -0.612641D+01 -0.692335D+01  0.117586D+02 -0.529955D+01 -0.671209D+01
      6  -0.685127D+00 -0.192356D+01  0.944540D+01 -0.848588D+01 -0.237998D+00
                71            72            73            74            75 
      1  -0.706203D+01 -0.185867D+01  0.220012D+02 -0.157875D+01 -0.109854D+02
      2   0.782751D+01 -0.220999D+01 -0.205773D+02  0.846192D+00  0.102746D+02
      3  -0.765479D+00  0.406866D+01 -0.142389D+01  0.732558D+00  0.710792D+00
      4   0.873333D+01 -0.415664D+01  0.128983D+02 -0.955069D+01 -0.673748D+01
      5  -0.373074D+01 -0.301500D+01 -0.136784D+02 -0.203160D+01  0.828921D+01
      6  -0.693270D+01  0.598000D+00  0.770514D+00  0.482672D+01  0.456480D+00
                76            77            78            79            80 
      1   0.557542D+01 -0.803454D+01 -0.473953D+01 -0.565504D+01 -0.152379D+01
      2  -0.335554D+01  0.497751D+00  0.193210D+01  0.553903D+01  0.266977D+01
      3  -0.221989D+01  0.753679D+01  0.280743D+01  0.116002D+00 -0.114598D+01
      4  -0.530821D+01  0.102910D+02 -0.359779D+01 -0.301923D+01 -0.346699D+00
      5  -0.326279D+01 -0.858221D+00  0.242450D+00  0.521841D+01  0.142825D+01
      6   0.314671D+01 -0.390502D+01  0.289693D+01  0.729418D+00  0.353020D+01
                81            82            83            84            85 
      1   0.101890D+02 -0.203268D+00  0.488919D+01  0.290176D+01  0.720224D+01
      2   0.591928D+01 -0.443695D+01 -0.106408D+02 -0.148097D+00 -0.999454D+01
      3  -0.161082D+02  0.464022D+01  0.575161D+01 -0.275366D+01  0.279230D+01
      4   0.389249D+01 -0.530476D+01  0.125100D+02 -0.103411D+02  0.548691D+01
      5   0.842916D+01  0.255184D+01 -0.999042D+00  0.455218D+01  0.108820D+01
      6  -0.357755D+00 -0.587132D+01  0.803475D+01 -0.241374D+01  0.783380D+01
                86            87            88            89            90 
      1   0.871520D+01  0.668462D+00 -0.122184D+01 -0.556123D+00  0.103533D+02
      2  -0.101851D+02  0.921897D-01  0.266716D+00 -0.146565D+00  0.574762D+01
      3   0.146991D+01 -0.760652D+00  0.955124D+00  0.702688D+00 -0.161009D+02
      4  -0.210251D+02  0.852684D+01 -0.493395D+01  0.453206D+01 -0.380413D+01
      5   0.742957D+01 -0.258904D+01  0.486496D+01 -0.910843D+00 -0.389238D+01
      6  -0.516945D+01  0.662598D+01 -0.164033D+01  0.386473D+01  0.749758D+01
                91            92            93            94            95 
      1   0.548149D+01 -0.130496D+02 -0.117618D+02 -0.135302D+02 -0.100143D+01
      2   0.144048D+01  0.182239D+02  0.524038D+01  0.210820D+02 -0.156957D+02
      3  -0.692197D+01 -0.517429D+01  0.652146D+01 -0.755179D+01  0.166971D+02
      4  -0.855501D+01 -0.117391D+02  0.790630D+01 -0.166330D+02  0.356239D+02
      5  -0.100553D+02 -0.219294D+01 -0.105149D+02 -0.179118D+01 -0.191310D+02
      6   0.829413D+01 -0.396989D+01  0.280488D+01 -0.993974D+01  0.210156D+02
                96            97            98            99           100 
      1  -0.770481D+01 -0.866165D+01 -0.831732D+01 -0.574951D+01 -0.302063D+02
      2   0.175326D+02  0.374939D+01  0.153286D+02  0.167637D+01  0.122558D+02
      3  -0.982783D+01  0.491226D+01 -0.701130D+01  0.407314D+01  0.179505D+02
      4  -0.179251D+02  0.435010D+01 -0.117092D+02  0.192474D+01  0.341670D+02
      5  -0.185966D+01 -0.860216D+01 -0.869109D+00  0.994446D+00  0.247879D+02
      6  -0.411314D+01  0.265146D+01 -0.503105D+01 -0.293239D+01 -0.152883D+02
               101           102           103           104           105 
      1   0.202999D+02  0.211695D+02  0.161781D+02  0.924879D+01  0.572618D+01
      2  -0.160825D+02 -0.105899D+02 -0.143513D+02 -0.108091D+01 -0.109281D+02
      3  -0.421741D+01 -0.105795D+02 -0.182678D+01 -0.816788D+01  0.520195D+01
      4  -0.580019D+01 -0.151652D+02 -0.147374D+01 -0.105197D+02  0.790965D+01
      5  -0.756727D+01 -0.432070D+01 -0.158001D+01  0.804629D+01  0.358853D+01
      6  -0.394620D+01 -0.104294D+01 -0.357339D+01 -0.976396D+01 -0.102562D+02
               106           107           108           109           110 
      1   0.174975D+02  0.473870D+01  0.104953D+01 -0.111977D+01 -0.108232D+02
      2  -0.991147D+01 -0.870272D+01 -0.510935D+01  0.708678D+00  0.861941D+01
      3  -0.758599D+01  0.396402D+01  0.405982D+01  0.411089D+00  0.220381D+01
      4  -0.891045D+01  0.468594D+01  0.281208D+01 -0.241085D+02  0.563419D+00
      5  -0.532779D+01  0.307344D+01 -0.302638D+01 -0.812855D+01  0.738786D+01
      6  -0.420913D+00 -0.832096D+01  0.607217D+00  0.633711D+01  0.273483D+01
               111           112           113           114           115 
      1  -0.241786D+01 -0.133474D+02 -0.625855D+01  0.235152D+01 -0.147328D+01
      2   0.283969D+01  0.820261D+01  0.552012D+00  0.526016D+00  0.938151D+00
      3  -0.421831D+00  0.514479D+01  0.570653D+01 -0.287753D+01  0.535129D+00
      4   0.948608D+01  0.762678D+01 -0.430626D+01 -0.922125D+01  0.493470D+01
      5   0.724502D+01  0.789668D+01 -0.409311D+01 -0.205893D+01  0.418187D+01
      6  -0.224096D+01  0.683573D+00  0.212431D+01  0.393223D+01 -0.102259D+01
               116           117           118           119           120 
      1   0.135330D+01  0.679528D+01  0.828407D+02 -0.109316D+01 -0.213732D+02
      2  -0.235087D+01  0.930057D+01 -0.477388D+02  0.159447D+01  0.143687D+02
      3   0.997566D+00 -0.160958D+02 -0.351019D+02 -0.501311D+00  0.700453D+01
      4  -0.389430D+01 -0.425541D+01  0.104150D+02  0.798614D+01 -0.245753D+01
      5  -0.170144D+01  0.793342D+01 -0.329710D+02  0.433874D+00  0.185835D+02
      6   0.454341D+01 -0.291859D+01 -0.350388D+01 -0.162300D+01  0.294984D+01
               121           122           123           124           125 
      1  -0.142860D+02  0.743213D+01  0.503783D+01 -0.176273D+02  0.104036D+01
      2   0.991206D+01 -0.408911D+01 -0.470636D+01  0.141590D+02 -0.174440D+01
      3   0.437396D+01 -0.334303D+01 -0.331468D+00  0.346829D+01  0.704043D+00
      4   0.946413D+01 -0.945300D+00 -0.446827D+01 -0.267541D+01 -0.346527D+01
      5   0.628807D+01 -0.578422D+01 -0.278664D+01  0.225782D+02  0.178029D+00
      6  -0.261195D+01 -0.854094D+00  0.276610D+01  0.318558D+01  0.269921D+01
               126           127           128           129           130 
      1   0.134477D+02  0.108887D+01  0.549083D+01 -0.746606D+01  0.443393D+01
      2  -0.109981D+02  0.150925D+00 -0.379774D+01  0.377309D+01 -0.139523D+01
      3  -0.244959D+01 -0.123980D+01 -0.169309D+01  0.369297D+01 -0.303870D+01
      4   0.213083D+01  0.225876D+01  0.106536D+00 -0.140724D+01  0.723088D+01
      5  -0.134578D+02 -0.499358D+01 -0.895854D+00  0.703215D+00 -0.343296D+01
      6  -0.159894D+01 -0.350414D+01  0.276510D+01 -0.190928D+01 -0.213566D+01
               131           132           133           134           135 
      1  -0.133485D+02  0.751425D+01 -0.633635D+01  0.531052D+01 -0.651863D+01
      2   0.182519D+02 -0.638673D+01  0.350850D+01 -0.316399D+01  0.201753D+01
      3  -0.490337D+01 -0.112753D+01  0.282786D+01 -0.214653D+01  0.450111D+01
      4   0.226056D+02 -0.104853D+02 -0.448189D+01 -0.877053D+01  0.811570D+01
      5  -0.104765D+02  0.119916D+02  0.500775D+01  0.858517D+01 -0.106574D+02
      6  -0.169368D+02  0.126650D+02  0.150700D+01  0.111903D+02 -0.110197D+02
               136           137           138           139           140 
      1   0.342979D+02  0.170141D+02  0.100710D+02  0.208018D+02  0.123661D+02
      2  -0.128616D+02 -0.361273D+01 -0.472141D+01 -0.251781D+01  0.464317D+01
      3  -0.214363D+02 -0.134013D+02 -0.534956D+01 -0.182840D+02 -0.170093D+02
      4   0.316774D+02  0.232341D+02  0.961218D+01  0.340173D+02  0.345343D+02
      5   0.183366D+02  0.952120D+01  0.127814D+02  0.135637D+02  0.150325D+02
      6   0.833084D+01  0.576484D+01  0.474596D+01  0.101170D+02  0.118126D+02
               141           142           143           144           145 
      1   0.408708D+01  0.870368D+01  0.247250D+01  0.642626D+01  0.149227D+02
      2   0.441876D+00 -0.552612D+01 -0.922090D+00 -0.398097D+01 -0.100143D+02
      3  -0.452896D+01 -0.317756D+01 -0.155041D+01 -0.244529D+01 -0.490841D+01
      4   0.147762D+02  0.102605D+02  0.107040D+02  0.112568D+02 -0.527573D+01
      5   0.104862D+02  0.168170D+02  0.106707D+02  0.116384D+02  0.122432D+02
      6   0.855471D+01  0.766084D+01  0.844972D+01  0.692767D+01 -0.936588D+00
               146           147           148           149           150 
      1  -0.626384D+01  0.843965D+01 -0.133976D+02  0.830126D+01 -0.333381D+01
      2   0.455741D+01 -0.618902D+01  0.103327D+02 -0.703739D+01  0.647145D+01
      3   0.170643D+01 -0.225063D+01  0.306490D+01 -0.126386D+01 -0.313764D+01
      4   0.768764D+01 -0.171396D+01  0.111961D+02 -0.159222D+02  0.105548D+02
      5  -0.394183D+01  0.100356D+02 -0.895054D+01  0.125033D+02 -0.140230D+02
      6   0.196870D+01 -0.125736D+00  0.429948D+01 -0.584765D+01  0.335516D+01
               151           152           153           154           155 
      1   0.942030D+01 -0.732191D+00  0.450374D+01  0.558678D+01 -0.534662D+01
      2  -0.847738D+01  0.415616D+01 -0.898895D+01  0.403079D+01 -0.500996D+01
      3  -0.942914D+00 -0.342396D+01  0.448521D+01 -0.961758D+01  0.103566D+02
      4  -0.100987D+01  0.723660D+01 -0.621387D+01 -0.175916D+02  0.197917D+02
      5   0.121874D+02 -0.782483D+01  0.151613D+02  0.774640D+01 -0.593051D+01
      6  -0.747182D+00  0.402144D+01 -0.224783D+01 -0.670722D+01  0.486050D+01
               156           157           158           159           160 
      1   0.366739D+01 -0.112072D+01 -0.136627D+02  0.592761D+01  0.156054D+01
      2  -0.451860D+00 -0.141084D+02  0.425014D+02 -0.121607D+02  0.779345D+00
      3  -0.321553D+01  0.152292D+02 -0.288386D+02  0.623306D+01 -0.233988D+01
      4  -0.664104D+01  0.283609D+02 -0.487208D+02  0.154669D+02 -0.800797D+01
      5   0.679716D+01 -0.800005D+01  0.154233D+02 -0.975981D+01  0.913095D+01
      6  -0.402481D+01  0.104247D+02 -0.246860D+02  0.145576D+02 -0.794693D+01
               161           162           163           164           165 
      1   0.539592D+01 -0.303904D+01  0.251305D+02  0.684779D+01  0.105062D+02
      2  -0.804567D+01  0.548657D+01 -0.191074D+02 -0.712402D+01 -0.963340D+01
      3   0.264975D+01 -0.244753D+01 -0.602309D+01  0.276229D+00 -0.872827D+00
      4   0.128139D+02 -0.116544D+02 -0.302906D+01  0.529389D+01 -0.211166D+01
      5  -0.109572D+02  0.812252D+01  0.170097D+02  0.306268D+01  0.140485D+02
      6   0.161515D+02 -0.108575D+02 -0.285208D+01  0.174971D+01 -0.429132D+01
               166           167           168           169           170 
      1   0.145525D+02  0.710144D+01  0.577345D+01  0.889699D+01  0.186498D+01
      2  -0.134865D+02 -0.699667D+01 -0.955005D+01 -0.934330D+01 -0.539974D+01
      3  -0.106598D+01 -0.104764D+00  0.377660D+01  0.446314D+00  0.353476D+01
      4   0.324416D+01  0.384826D+01  0.522474D+01 -0.387984D+01  0.528491D+01
      5   0.857356D+01  0.843679D+01  0.961318D+01  0.140196D+02  0.369904D+01
      6   0.199860D+01 -0.330961D+00 -0.662433D+00 -0.338697D+01  0.218797D+01
               171           172           173           174           175 
      1   0.690994D+01  0.575600D+02 -0.147760D+02 -0.159042D+02 -0.366032D+01
      2  -0.114178D+02 -0.257125D+02  0.250325D+01  0.930996D+01 -0.372677D+01
      3   0.450783D+01 -0.318475D+02  0.122727D+02  0.659428D+01  0.738709D+01
      4  -0.360392D+00 -0.451432D+02  0.219497D+02  0.133590D+02  0.153905D+02
      5   0.148916D+02 -0.283532D+02  0.861924D+01  0.161979D+02  0.282813D+01
      6  -0.372418D+01  0.134707D+02 -0.566015D+01 -0.850003D+01 -0.433565D+01
               176           177           178           179           180 
      1   0.531411D+01 -0.754984D+00 -0.114258D+02  0.139014D+01  0.837584D+01
      2   0.128996D+01  0.311666D+01  0.849686D+01  0.580524D+00 -0.592418D+01
      3  -0.660407D+01 -0.236168D+01  0.292894D+01 -0.197066D+01 -0.245166D+01
      4  -0.117010D+02 -0.521713D+01  0.115428D+02 -0.635844D+01 -0.101294D+02
      5  -0.576121D+01 -0.276574D+01  0.184807D+02 -0.669761D+01 -0.118081D+02
      6   0.533662D+01  0.512621D+01 -0.970560D+01  0.678089D+01  0.660463D+01
               181           182           183           184           185 
      1  -0.503306D+01 -0.121864D+02 -0.938937D+01 -0.661279D+01 -0.202810D+02
      2   0.515023D+01  0.124764D+02  0.554643D+01  0.553528D+01  0.263417D+02
      3  -0.117164D+00 -0.289956D+00  0.384294D+01  0.107751D+01 -0.606063D+01
      4   0.132509D+01  0.803030D+00  0.362607D+01  0.466897D+01 -0.819966D+01
      5  -0.178254D+01  0.129017D+01 -0.110198D+01  0.178771D+01 -0.472529D+01
      6   0.688420D+01  0.748509D+01  0.758632D+01  0.198462D+01  0.179306D+02
               186           187           188           189           190 
      1  -0.100492D+02 -0.552921D+01 -0.882479D+01 -0.109934D+02 -0.184490D+01
      2   0.104356D+02  0.209058D+01  0.792969D+01  0.650608D+01  0.148042D+02
      3  -0.386454D+00  0.343863D+01  0.895100D+00  0.448733D+01 -0.129593D+02
      4  -0.423107D+01  0.493309D+01 -0.554014D+01 -0.273959D+01  0.257606D+02
      5  -0.630805D+01  0.235593D+01 -0.493300D+01 -0.564602D+01  0.802757D+01
      6   0.144959D+02  0.214262D+01  0.138585D+02  0.142640D+02  0.132631D+02
               191           192           193           194           195 
      1  -0.851112D+01 -0.239358D+01 -0.685862D+01 -0.226474D+02 -0.735011D+01
      2   0.256629D+02  0.618020D+01  0.191396D+02  0.481205D+02  0.132481D+02
      3  -0.171518D+02 -0.378662D+01 -0.122810D+02 -0.254731D+02 -0.589796D+01
      4   0.299846D+02  0.127180D+02  0.199300D+02  0.310446D+02  0.911601D+01
      5   0.854445D+01  0.665496D+01  0.475997D+01  0.758528D+01  0.394196D+01
      6   0.139838D+02  0.968248D+01  0.941147D+01  0.224895D+02  0.147037D+02
               196           197           198           199           200 
      1  -0.257381D+01 -0.836303D+01 -0.673044D+01 -0.394576D+01  0.757836D+01
      2   0.369683D+01  0.117140D+02  0.917589D+01  0.587754D+01 -0.110199D+02
      3  -0.112302D+01 -0.335100D+01 -0.244545D+01 -0.193178D+01  0.344150D+01
      4   0.875898D+01  0.929298D+01  0.952087D+01 -0.201551D+02  0.123098D+02
      5   0.621469D+01  0.626322D+01  0.534579D+01 -0.838455D+01  0.465659D+01
      6   0.927210D+01  0.190623D+02  0.124553D+02  0.131864D+02 -0.814819D+01
               201           202           203           204           205 
      1   0.425155D+01  0.293678D+01 -0.685568D+01 -0.497299D+01  0.321111D+01
      2  -0.142399D+01 -0.502744D+01  0.110636D+02  0.760985D+01  0.695110D-01
      3  -0.282756D+01  0.209066D+01 -0.420792D+01 -0.263686D+01 -0.328062D+01
      4   0.118338D+02  0.725568D+01 -0.552581D+01 -0.202024D+01  0.799157D+01
      5   0.531103D+01  0.168644D+01 -0.158286D+01 -0.749322D+00  0.527769D+01
      6  -0.146488D+02 -0.349465D+01  0.104313D+02  0.806461D+01 -0.874011D+01
               206           207           208           209           210 
      1  -0.755409D+01 -0.715138D+01 -0.526058D+01  0.127197D+02 -0.523107D+01
      2   0.893522D+01  0.264730D+01  0.965784D+01 -0.211608D+02  0.647770D+01
      3  -0.138113D+01  0.450407D+01 -0.439725D+01  0.844113D+01 -0.124663D+01
      4  -0.226623D+01 -0.775255D+01 -0.513626D+01  0.125253D+02 -0.582629D+01
      5  -0.166075D+01 -0.421705D+01  0.587860D+00 -0.344537D+01  0.301354D+01
      6   0.109305D+02  0.147549D+02 -0.710391D+01  0.932577D+01 -0.483989D+01
               211           212           213           214           215 
      1   0.515304D+01 -0.465972D+02  0.138127D+02 -0.266154D+01  0.140669D+02
      2  -0.871511D+01  0.806694D+02 -0.207117D+02  0.241750D+01 -0.175959D+02
      3   0.356207D+01 -0.340722D+02  0.689898D+01  0.244037D+00  0.352904D+01
      4   0.829968D+01 -0.418738D+01  0.151615D+01 -0.387611D+01  0.104417D+01
      5  -0.169840D+01  0.168680D+00  0.892799D+00  0.260134D+01  0.545826D+00
      6   0.365617D+01 -0.318538D+02  0.183107D+02 -0.246127D+01  0.226547D+02
               216           217           218           219           220 
      1  -0.111206D+02  0.125065D+02 -0.148261D+01 -0.391266D+01 -0.196359D+01
      2   0.135726D+02 -0.827051D+01  0.493192D+01  0.550020D+01  0.405662D+01
      3  -0.245203D+01 -0.423599D+01 -0.344930D+01 -0.158754D+01 -0.209302D+01
      4  -0.111775D+01  0.248636D+02  0.926042D+01 -0.118402D+02  0.191819D+01
      5   0.178984D+00 -0.153611D+02 -0.332579D+01  0.111555D+02  0.119104D+01
      6  -0.135282D+02 -0.119366D+02 -0.455872D+01  0.133795D+02 -0.138782D+01
               221           222           223           224           225 
      1  -0.114305D+01  0.346596D+01 -0.131643D+01  0.439053D+01 -0.236665D+00
      2   0.307502D+01 -0.698970D+01  0.381045D+01 -0.691942D+01 -0.425290D+01
      3  -0.193197D+01  0.352374D+01 -0.249402D+01  0.252889D+01  0.448957D+01
      4   0.316547D+01 -0.146611D+01 -0.909247D+01 -0.429227D+01  0.894799D+01
      5  -0.288052D+01 -0.517211D+00  0.977827D+01  0.213585D+01 -0.953295D+01
      6  -0.610042D+01  0.223839D+01  0.921680D+01  0.643757D+01 -0.120214D+02
               226           227           228           229           230 
      1   0.123172D+02  0.177764D+01 -0.148070D+01 -0.212776D+01  0.223012D+01
      2  -0.391352D+01 -0.766940D+01  0.572206D+00 -0.167999D+01  0.274093D+01
      3  -0.840364D+01  0.589175D+01  0.908491D+00  0.380775D+01 -0.497104D+01
      4  -0.237214D+02  0.108679D+02 -0.434475D+01  0.900320D+01 -0.723269D+01
      5   0.109061D+02 -0.482054D+01  0.448050D+01 -0.243446D+01  0.139939D+01
      6  -0.379886D+01  0.677132D+01 -0.550116D+01  0.152122D+01  0.998787D-01
               231           232           233           234           235 
      1  -0.130283D+01 -0.103408D+01 -0.360231D+01  0.140121D+01 -0.720875D+00
      2   0.129823D+01 -0.174350D+01  0.631977D+01 -0.333738D+01 -0.220088D+01
      3   0.459837D-02  0.277758D+01 -0.271746D+01  0.193618D+01  0.292175D+01
      4   0.140526D+01  0.208164D+01 -0.452565D+00 -0.324583D+01 -0.126285D+01
      5  -0.132358D+01  0.225908D+01 -0.728743D+00  0.186950D+01  0.168221D+01
      6   0.114075D+01 -0.268922D+01 -0.723079D+00 -0.513861D+00 -0.252857D+01
               236           237           238           239           240 
      1  -0.299702D+01  0.199953D+01 -0.181156D+01  0.100745D+01 -0.148440D+01
      2   0.297411D+01 -0.738729D+00  0.116284D+01 -0.390225D+01 -0.314818D+01
      3   0.229030D-01 -0.126080D+01  0.648717D+00  0.289480D+01  0.463258D+01
      4   0.247463D+01 -0.315907D+01  0.278663D+00 -0.137886D+00  0.368209D-01
      5  -0.100657D+01  0.513855D+01 -0.196152D+00 -0.119315D+01  0.105575D+01
      6  -0.120689D+01  0.973714D+00 -0.863252D+00  0.422458D+00  0.129323D+01
               241           242           243           244           245 
      1  -0.112491D+01  0.640264D+01 -0.171502D+02  0.294500D+02 -0.184397D+01
      2  -0.315469D+01 -0.365938D+01 -0.191212D+02 -0.181030D+02  0.510163D+01
      3   0.427960D+01 -0.274326D+01  0.362714D+02 -0.113470D+02 -0.325766D+01
      4  -0.380012D+01  0.307639D+00 -0.329186D+01  0.162809D+02  0.649032D+01
      5   0.433498D+01 -0.102557D+01  0.573053D+01  0.134938D+02  0.195757D+01
      6  -0.355433D+01  0.774461D+01 -0.232222D+02  0.104828D+01  0.370560D+01
               246           247           248           249           250 
      1   0.246415D+01 -0.673797D+00  0.469646D+01  0.105493D+01 -0.172058D+01
      2  -0.330366D+01  0.185052D+01 -0.264675D+01 -0.697604D+00 -0.188652D+01
      3   0.839514D+00 -0.117673D+01 -0.204971D+01 -0.357322D+00  0.360710D+01
      4   0.352437D+01  0.166368D+01  0.390990D-01 -0.138298D+01 -0.307364D+01
      5   0.639387D+01 -0.224258D+01 -0.734545D+00 -0.859343D+00  0.301625D+01
      6   0.332136D+01 -0.226284D+00 -0.235319D+01 -0.788399D+00  0.113048D+01
               251           252           253           254           255 
      1   0.270869D+01  0.300530D+01  0.195234D+01  0.322692D+01  0.420687D+01
      2  -0.416032D+01 -0.492580D+01 -0.463020D+01 -0.329350D+01 -0.128454D+01
      3   0.145164D+01  0.192050D+01  0.267786D+01  0.665764D-01 -0.292233D+01
      4  -0.287168D+01  0.615364D+00 -0.341998D+00 -0.884117D+00  0.140913D+01
      5  -0.837513D+00  0.190914D+01  0.208522D+01 -0.908369D+00  0.386871D+01
      6  -0.148862D+01 -0.267028D+00  0.621358D+00 -0.172350D+01 -0.201876D+01
               256           257           258           259           260 
      1   0.928990D+00 -0.160786D+01  0.157795D+00 -0.630967D+00 -0.483256D+01
      2  -0.366534D+00 -0.152392D+01  0.363690D+01 -0.438332D+01  0.394302D+01
      3  -0.562457D+00  0.313178D+01 -0.379469D+01  0.501429D+01  0.889542D+00
      4  -0.138562D+01 -0.905676D+00  0.862791D-01  0.326992D+01  0.273264D+01
      5  -0.153171D+01 -0.818904D+00 -0.211564D+01  0.645746D+01  0.156050D+01
      6  -0.109671D+01  0.115202D+01  0.257684D+01  0.409723D+01  0.562502D+01
               261           262           263           264           265 
      1  -0.151074D+02  0.223362D+02  0.863379D+01 -0.239640D+01  0.137597D+02
      2  -0.211649D+02 -0.123191D+02 -0.576354D+01  0.285269D+01 -0.880245D+01
      3   0.362722D+02 -0.100172D+02 -0.287024D+01 -0.456292D+00 -0.495720D+01
      4   0.163991D+01  0.989595D+01  0.989363D+01 -0.223470D+01  0.652973D+01
      5   0.141925D+02 -0.731506D+01 -0.336400D+01  0.492811D+01 -0.910150D+01
      6   0.192512D+02 -0.376298D+01 -0.353814D+01  0.106104D+01 -0.298229D+01
               266           267           268           269           270 
      1   0.717565D+01 -0.302753D+01  0.533706D+01  0.793341D+00  0.654106D+00
      2  -0.382636D+01  0.381998D+01 -0.159740D+01  0.256916D+00 -0.258720D+01
      3  -0.334929D+01 -0.792453D+00 -0.373966D+01 -0.105026D+01  0.193309D+01
      4   0.124448D+02 -0.205228D+00 -0.317574D+01  0.267730D+01  0.367849D+01
      5  -0.204008D+01  0.525665D+01  0.150249D+01  0.313073D+01 -0.137557D+01
      6  -0.506661D+01  0.689818D+00  0.116464D+01  0.516306D-01 -0.136644D+01
               271           272           273           274           275 
      1  -0.188123D+01  0.487720D+00 -0.373933D+01  0.132728D+01 -0.140381D+01
      2  -0.718677D+00 -0.217407D-01 -0.913451D+00 -0.148729D+01 -0.179739D+01
      3   0.259991D+01 -0.465979D+00  0.465278D+01  0.160016D+00  0.320120D+01
      4   0.423897D+01 -0.278730D+00 -0.776553D+00  0.211645D+01 -0.771911D+00
      5   0.488381D+00 -0.137732D+01  0.136752D+01 -0.148897D+01 -0.254327D+01
      6  -0.331125D+00 -0.519719D+00  0.112501D+01 -0.139364D+01  0.965211D+00
               276           277           278           279           280 
      1  -0.947436D+00 -0.154649D+01  0.136557D+00 -0.157887D+02 -0.465222D+01
      2   0.216803D+01  0.605199D+01  0.218807D+01 -0.204872D+02  0.709743D+01
      3  -0.122060D+01 -0.450550D+01 -0.232463D+01  0.362759D+02 -0.244521D+01
      4  -0.274185D+01  0.224842D+01 -0.450013D+01  0.249567D+01  0.900896D+01
      5   0.119947D+01  0.886509D+01  0.927717D+00 -0.229591D+02 -0.406708D+01
      6   0.505692D+01 -0.159276D+01  0.320812D+01  0.665329D+01 -0.103883D+01
               281           282           283           284           285 
      1  -0.882472D+01  0.325800D+01 -0.682716D+01 -0.165521D+02  0.378691D+01
      2   0.127934D+02 -0.253467D+01  0.870285D+01  0.275213D+02 -0.323418D+01
      3  -0.396869D+01 -0.723331D+00 -0.187570D+01 -0.109692D+02 -0.552732D+00
      4   0.390770D+01  0.892135D+00  0.820127D+01  0.658343D+01 -0.135715D+01
      5  -0.193758D+01 -0.578268D-01 -0.322820D+01 -0.342994D+01  0.394362D+00
      6  -0.848505D+01  0.457645D+01 -0.289532D+01 -0.934007D+01  0.565719D+01
               286           287           288           289           290 
      1  -0.374381D+00 -0.743004D+00 -0.347918D+01 -0.134928D+01 -0.192824D+01
      2   0.919747D+00  0.460324D+01  0.156107D+01 -0.188628D+01  0.168932D+01
      3  -0.545365D+00 -0.386023D+01  0.191811D+01  0.323556D+01  0.238924D+00
      4   0.301843D+01 -0.359280D+01  0.312718D+01 -0.877293D+00  0.998636D+00
      5  -0.492791D+00  0.893200D+00 -0.117656D+01  0.144830D+01 -0.950144D+00
      6   0.286100D+01  0.202344D+01 -0.152164D+01 -0.195953D+01 -0.197323D+01
               291           292           293           294           295 
      1   0.290756D+01  0.125062D+00 -0.210865D+01 -0.353751D+00  0.261618D+01
      2  -0.106717D+01  0.264428D+00 -0.468256D+00 -0.405205D+01 -0.865175D+00
      3  -0.184039D+01 -0.389490D+00  0.257690D+01  0.440580D+01 -0.175100D+01
      4  -0.218532D+01 -0.100497D+01  0.432498D+01 -0.669368D+00 -0.447272D+01
      5   0.468558D+01 -0.947419D-01 -0.554898D+00  0.154283D+01  0.337768D+01
      6   0.165204D+01 -0.173954D+01 -0.408208D-01  0.176973D+01  0.223742D+00
               296           297           298           299           300 
      1   0.575690D+01 -0.210810D+02 -0.347378D+01  0.376667D+01  0.227167D+00
      2  -0.955797D+00 -0.151781D+02  0.509809D+01 -0.386978D+01  0.226346D+00
      3  -0.480110D+01  0.362590D+02 -0.162431D+01  0.103110D+00 -0.453513D+00
      4   0.259356D+01  0.180869D+01 -0.192646D+01  0.430013D+00 -0.188910D+01
      5  -0.232219D+01  0.956447D+01 -0.267451D+01 -0.182630D+00 -0.975297D+00
      6   0.871577D+01 -0.219417D+02 -0.797728D+00 -0.415158D+01 -0.183645D+01
               301           302           303           304           305 
      1   0.569069D+01 -0.205943D+02 -0.414788D+01 -0.310969D+01 -0.153416D+01
      2  -0.370181D+01  0.323279D+02  0.336510D+01  0.214582D+01 -0.222195D+01
      3  -0.198888D+01 -0.117336D+02  0.782775D+00  0.963870D+00  0.375611D+01
      4   0.562799D+01  0.105730D+02  0.243761D+01 -0.324530D+01 -0.342651D+01
      5   0.315759D+01 -0.282837D+00  0.235019D+01 -0.144983D+01  0.543348D+00
      6   0.533969D+00  0.133307D+02  0.660357D+01 -0.142486D+01  0.299197D+01
               306           307           308           309           310 
      1  -0.496344D+01 -0.966482D+00  0.458129D+00  0.373071D+01 -0.250502D+01
      2   0.302944D+01 -0.221640D+01  0.338860D-01 -0.348460D+00  0.237789D+01
      3   0.193400D+01  0.318288D+01 -0.492015D+00 -0.338225D+01  0.127130D+00
      4  -0.429474D+00 -0.475001D+00 -0.140538D+01  0.438701D+00 -0.161222D+01
      5  -0.495332D+00  0.154260D+01 -0.732268D+00  0.313305D+01 -0.143963D+01
      6   0.187370D+01 -0.261513D+00 -0.198160D+01 -0.221245D+01 -0.145263D+01
               311           312           313           314           315 
      1  -0.474938D+01 -0.105596D+01  0.372592D+01 -0.468560D+01 -0.214712D+02
      2   0.213410D+01  0.448211D+01 -0.396033D+01 -0.370681D+00 -0.148056D+02
      3   0.261528D+01 -0.342616D+01  0.234406D+00  0.505628D+01  0.362768D+02
      4  -0.160403D+01  0.713048D+00  0.339089D+01  0.313938D+01  0.783496D+00
      5   0.292503D-01 -0.214593D+01  0.490874D+01  0.387465D+01  0.172404D+02
      6   0.171751D+01  0.328944D+01  0.135623D+01  0.715332D+01  0.165388D+02
               316           317           318           319           320 
      1   0.643281D+01 -0.351109D+01  0.661397D+00 -0.981578D+01  0.699071D+00
      2  -0.137266D+00 -0.582007D+00 -0.555368D+00  0.363747D+01  0.639266D+01
      3  -0.629555D+01  0.409310D+01 -0.106029D+00  0.617831D+01 -0.709173D+01
      4  -0.957778D+01  0.107980D+02  0.219058D+01  0.113241D+02 -0.223743D+02
      5  -0.135816D+01  0.233009D+01  0.207548D+01  0.784692D+01 -0.391879D+01
      6   0.234406D+01 -0.326736D+01 -0.164022D+01 -0.493815D+01  0.938241D+01
               321           322           323           324           325 
      1   0.176055D+01  0.650456D+01 -0.144512D+01 -0.240872D+01 -0.415613D+01
      2  -0.266155D+01 -0.344597D+01 -0.954319D+00  0.481068D+00  0.135265D+01
      3   0.901005D+00 -0.305859D+01  0.239944D+01  0.192765D+01  0.280348D+01
      4  -0.367076D+01  0.592890D+00  0.202323D+01 -0.375050D+01 -0.128501D+01
      5  -0.581285D+01 -0.221562D+00 -0.301431D+01 -0.746141D+00  0.754185D+00
      6   0.353670D+01 -0.105247D+01  0.176901D+01  0.179147D+01 -0.892733D+00
               326           327           328           329           330 
      1   0.745346D+00 -0.312022D+01  0.191862D+01 -0.144882D+01 -0.272282D+00
      2  -0.137676D+01 -0.163735D+01 -0.192539D+01 -0.155472D+01  0.919074D+00
      3   0.631415D+00  0.475756D+01  0.676777D-02  0.300355D+01 -0.646792D+00
      4   0.677837D+00  0.273092D+00  0.318916D+01 -0.902873D+00 -0.339919D+01
      5  -0.368775D+00  0.110220D+01 -0.597173D+00 -0.291794D+01  0.433419D+00
      6  -0.601916D+00  0.511182D+00 -0.145658D+01  0.109531D+01  0.533334D+01
               331           332           333 
      1  -0.325786D+01 -0.258077D+01 -0.182352D+02
      2   0.653335D+01 -0.130527D+01 -0.180397D+02
      3  -0.327549D+01  0.388604D+01  0.362749D+02
      4  -0.484517D+00 -0.403526D+01 -0.343704D+01
      5   0.827976D+01 -0.303563D+01 -0.237665D+02
      6  -0.506969D+00  0.379916D+01  0.264683D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Fri Jul 16 15:19:24 2021, MaxMem=  5637144576 cpu:           57411.9 elap:            7235.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -14.80903 -14.80901 -14.80900 -14.80899 -14.80899
 Alpha  occ. eigenvalues --  -14.80898 -10.63299 -10.63299 -10.63298 -10.63279
 Alpha  occ. eigenvalues --  -10.63279 -10.63279  -3.71973  -2.46807  -2.46807
 Alpha  occ. eigenvalues --   -2.46400  -1.36377  -1.35239  -1.35239  -1.32730
 Alpha  occ. eigenvalues --   -1.32729  -1.32698  -1.15005  -1.14825  -1.14825
 Alpha  occ. eigenvalues --   -1.03541  -1.03539  -1.02445  -0.96670  -0.96247
 Alpha  occ. eigenvalues --   -0.96245  -0.96122  -0.94167  -0.94166  -0.93675
 Alpha  occ. eigenvalues --   -0.93638  -0.93638  -0.87564  -0.87562  -0.86742
 Alpha  occ. eigenvalues --   -0.86155  -0.85934  -0.85933  -0.83927  -0.83042
 Alpha  occ. eigenvalues --   -0.83042  -0.79318  -0.79317  -0.78752  -0.77411
 Alpha  occ. eigenvalues --   -0.77410  -0.76856  -0.75309  -0.74327  -0.74326
 Alpha  occ. eigenvalues --   -0.71460  -0.71459  -0.71236
 Alpha virt. eigenvalues --   -0.48018  -0.48013  -0.40956  -0.38750  -0.38057
 Alpha virt. eigenvalues --   -0.38056  -0.34192  -0.33991  -0.33991  -0.32357
 Alpha virt. eigenvalues --   -0.32356  -0.32219  -0.30333  -0.30332  -0.28732
 Alpha virt. eigenvalues --   -0.28437  -0.28436  -0.27452  -0.26928  -0.26928
 Alpha virt. eigenvalues --   -0.26806  -0.25740  -0.25359  -0.25356  -0.24328
 Alpha virt. eigenvalues --   -0.24326  -0.22997  -0.22996  -0.22595  -0.22593
 Alpha virt. eigenvalues --   -0.22210  -0.21189  -0.21047  -0.20646  -0.20645
 Alpha virt. eigenvalues --   -0.19030  -0.19028  -0.19027  -0.18483  -0.18479
 Alpha virt. eigenvalues --   -0.18179  -0.18147  -0.18146  -0.17603  -0.17001
 Alpha virt. eigenvalues --   -0.16748  -0.15546  -0.15545  -0.14559  -0.12794
 Alpha virt. eigenvalues --   -0.12106  -0.12104  -0.11937  -0.11151  -0.11077
 Alpha virt. eigenvalues --   -0.11073  -0.10505  -0.09329  -0.09327  -0.08176
 Alpha virt. eigenvalues --   -0.07931  -0.07257  -0.07256  -0.06565  -0.06565
 Alpha virt. eigenvalues --   -0.05446  -0.05446  -0.04635  -0.04082  -0.02973
 Alpha virt. eigenvalues --   -0.02969  -0.02938  -0.02597  -0.02595  -0.01844
 Alpha virt. eigenvalues --   -0.00830  -0.00827  -0.00410  -0.00410   0.00317
 Alpha virt. eigenvalues --    0.01427   0.01430   0.01728   0.01960   0.01962
 Alpha virt. eigenvalues --    0.02016   0.02624   0.02624   0.02900   0.02900
 Alpha virt. eigenvalues --    0.03773   0.03832   0.03834   0.05460   0.05956
 Alpha virt. eigenvalues --    0.05960   0.06753   0.06754   0.06790   0.07424
 Alpha virt. eigenvalues --    0.07520   0.08277   0.08279   0.09442   0.10366
 Alpha virt. eigenvalues --    0.10367   0.10469   0.10470   0.10668   0.11455
 Alpha virt. eigenvalues --    0.11826   0.11826   0.12220   0.12220   0.13124
 Alpha virt. eigenvalues --    0.13181   0.14072   0.14073   0.14680   0.14682
 Alpha virt. eigenvalues --    0.14865   0.16250   0.16527   0.16736   0.16737
 Alpha virt. eigenvalues --    0.17773   0.17802   0.17807   0.18799   0.18800
 Alpha virt. eigenvalues --    0.19157   0.19162   0.19586   0.20463   0.20658
 Alpha virt. eigenvalues --    0.20660   0.22417   0.22934   0.22935   0.23658
 Alpha virt. eigenvalues --    0.23660   0.23826   0.24147   0.24683   0.24688
 Alpha virt. eigenvalues --    0.25749   0.26616   0.26620   0.27084   0.27727
 Alpha virt. eigenvalues --    0.28050   0.28051   0.28724   0.28725   0.29489
 Alpha virt. eigenvalues --    0.29496   0.30020   0.32338   0.32602   0.32607
 Alpha virt. eigenvalues --    0.33229   0.35131   0.35134   0.35282   0.37154
 Alpha virt. eigenvalues --    0.37298   0.39066   0.39072   0.39436   0.40063
 Alpha virt. eigenvalues --    0.40065   0.40441   0.40443   0.43023   0.43026
 Alpha virt. eigenvalues --    0.43627   0.44368   0.44372   0.45481   0.45485
 Alpha virt. eigenvalues --    0.46538   0.47663   0.48665   0.48676   0.50443
 Alpha virt. eigenvalues --    0.50449   0.53793   0.54245   0.54626   0.54629
 Alpha virt. eigenvalues --    0.55685   0.55775   0.58370   0.58372   0.60705
 Alpha virt. eigenvalues --    0.60706   0.61543   0.61827   0.62517   0.62519
 Alpha virt. eigenvalues --    0.64005   0.64007   0.64495   0.65088   0.65089
 Alpha virt. eigenvalues --    0.66351   0.66536   0.66539   0.66908   0.67565
 Alpha virt. eigenvalues --    0.67567   0.70056   0.70554   0.72649   0.72653
 Alpha virt. eigenvalues --    0.73723   0.73732   0.77103   0.77154   0.77157
 Alpha virt. eigenvalues --    0.78625   0.78630   0.79199   0.81929   0.81937
 Alpha virt. eigenvalues --    0.82273   0.85540   0.85543   0.87101   0.87113
 Alpha virt. eigenvalues --    0.88826   0.92982   0.92993   0.94171   0.99371
 Alpha virt. eigenvalues --    0.99381   1.02450   1.02459   1.04142   1.05275
 Alpha virt. eigenvalues --    1.06483   1.06735   1.06748   1.12161   1.12168
 Alpha virt. eigenvalues --    1.13638   1.17403   1.17411   1.20650   1.21027
 Alpha virt. eigenvalues --    1.21030   1.21339   1.22486   1.22490   1.24972
 Alpha virt. eigenvalues --    1.24977   1.27282   1.30725   1.31479   1.31486
 Alpha virt. eigenvalues --    1.31614   1.33818   1.33821   1.36091   1.37560
 Alpha virt. eigenvalues --    1.37567   1.39573   1.39752   1.40744   1.40754
 Alpha virt. eigenvalues --    1.43491   1.43497   1.44516   1.44523   1.45699
 Alpha virt. eigenvalues --    1.46342   1.47103   1.47105   1.49939   1.49942
 Alpha virt. eigenvalues --    1.50779   1.52711   1.52713   1.53886   1.55936
 Alpha virt. eigenvalues --    1.56119   1.56127   1.57715   1.57955   1.57964
 Alpha virt. eigenvalues --    1.59224   1.60752   1.61194   1.62307   1.62311
 Alpha virt. eigenvalues --    1.62805   1.65109   1.65121   1.67152   1.67477
 Alpha virt. eigenvalues --    1.67853   1.67854   1.68980   1.68983   1.70301
 Alpha virt. eigenvalues --    1.72721   1.72728   1.75505   1.75611   1.75617
 Alpha virt. eigenvalues --    1.75917   1.76245   1.76251   1.79018   1.79221
 Alpha virt. eigenvalues --    1.79224   1.79919   1.80805   1.81773   1.81778
 Alpha virt. eigenvalues --    1.83579   1.83592   1.84891   1.86003   1.86005
 Alpha virt. eigenvalues --    1.88396   1.89018   1.89020   1.90390   1.92825
 Alpha virt. eigenvalues --    1.93276   1.93289   1.98046   1.98545   1.98549
 Alpha virt. eigenvalues --    1.99833   1.99835   2.00999   2.03880   2.06062
 Alpha virt. eigenvalues --    2.06063   2.07124   2.07126   2.07592   2.09716
 Alpha virt. eigenvalues --    2.09719   2.10581   2.13458   2.13465   2.14456
 Alpha virt. eigenvalues --    2.14460   2.14868   2.15223   2.16761   2.16767
 Alpha virt. eigenvalues --    2.20474   2.24601   2.24612   2.24831   2.24833
 Alpha virt. eigenvalues --    2.26081   2.26457   2.33883   2.33886   2.37064
 Alpha virt. eigenvalues --    2.37856   2.37859   2.40814   2.41281   2.41290
 Alpha virt. eigenvalues --    2.42187   2.42426   2.42432   2.42859   2.48299
 Alpha virt. eigenvalues --    2.48306   2.49186   2.49191   2.49551   2.54148
 Alpha virt. eigenvalues --    2.59424   2.59429   2.59956   2.63910   2.63912
 Alpha virt. eigenvalues --    2.69376   2.69379   2.70883   2.77334   2.79407
 Alpha virt. eigenvalues --    2.79409   2.79564   2.80597   2.80599   2.95417
 Alpha virt. eigenvalues --    2.97328   2.98056   2.98057   3.01763   3.01768
 Alpha virt. eigenvalues --    3.03295   3.21101   3.21109   3.21376   3.23223
 Alpha virt. eigenvalues --    3.24345   3.24348  48.44085
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    4.474723   0.160618   0.159576   0.081570  -0.536672   0.005576
     2  C    0.160618   4.474987  -0.536597   0.081550   0.159503  -0.008018
     3  N    0.159576  -0.536597  12.577919  -1.668718   0.103112  -0.082641
     4  Rh   0.081570   0.081550  -1.668718  20.744448  -1.667500  -1.669791
     5  N   -0.536672   0.159503   0.103112  -1.667500  12.571776  -0.207560
     6  N    0.005576  -0.008018  -0.082641  -1.669791  -0.207560  12.576708
     7  C    0.001176  -0.002025  -0.007987   0.081689   0.034821  -0.536961
     8  C   -0.000322   0.001177   0.005573   0.081619  -0.003988   0.159544
     9  N   -0.004034   0.034878  -0.208162  -1.669163   0.067505   0.103072
    10  N   -0.007979   0.005566  -0.207757  -1.667251  -0.082426   0.067510
    11  C   -0.002028   0.001179   0.034880   0.081219  -0.008010  -0.004026
    12  C    0.001176  -0.000325  -0.003972   0.081785   0.005572   0.034856
    13  N    0.034847  -0.004006   0.067150  -1.668232  -0.207552  -0.207579
    14  H   -0.000098  -0.000121   0.000457   0.035562   0.008321   0.036398
    15  H   -0.000013   0.000241   0.005867   0.138267  -0.000212  -0.109574
    16  H   -0.000122   0.000073   0.000498   0.035725   0.004332  -0.206323
    17  H    0.001371  -0.000556   0.000594   0.137942  -0.063171  -0.235072
    18  H    0.000073  -0.000122   0.004331   0.035579   0.000497   0.008295
    19  H   -0.000555   0.001365  -0.063089   0.138312   0.000587  -0.000198
    20  H   -0.000122  -0.000098   0.008363   0.035760   0.000461   0.004321
    21  H    0.000243  -0.000013  -0.000200   0.137737   0.005825  -0.063102
    22  H   -0.016039   0.342346  -0.205312   0.035623   0.036227   0.000499
    23  H    0.012310   0.173442  -0.236317   0.138161  -0.109565   0.000590
    24  H    0.342327  -0.015951   0.036124   0.035742  -0.206082   0.000455
    25  H    0.173427   0.012210  -0.109497   0.137848  -0.235003   0.005853
    26  H    0.082472  -0.051696  -0.021355   0.189239  -0.518229   0.003195
    27  H    0.116075  -0.013936   0.010908   0.258746  -0.797123   0.020368
    28  H   -0.051700   0.082511  -0.520372   0.189411  -0.021421  -0.002983
    29  H   -0.013955   0.115990  -0.798571   0.258882   0.010987   0.001896
    30  H    0.006113  -0.002165  -0.029804   0.189158   0.003268   0.022808
    31  H   -0.004461  -0.003263  -0.001662   0.258734   0.020405  -0.021611
    32  H    0.000058  -0.000868   0.022901   0.189443  -0.002976  -0.029574
    33  H    0.000262   0.000975  -0.021599   0.258740   0.001883  -0.001754
    34  H   -0.000865   0.000057  -0.002974   0.189546   0.022824  -0.519217
    35  H    0.000972   0.000269   0.001900   0.258935  -0.021667  -0.797895
    36  H   -0.002187   0.006121   0.003134   0.189869  -0.029664  -0.021484
    37  H   -0.003264  -0.004479   0.020733   0.258901  -0.001720   0.011019
               7          8          9         10         11         12
     1  C    0.001176  -0.000322  -0.004034  -0.007979  -0.002028   0.001176
     2  C   -0.002025   0.001177   0.034878   0.005566   0.001179  -0.000325
     3  N   -0.007987   0.005573  -0.208162  -0.207757   0.034880  -0.003972
     4  Rh   0.081689   0.081619  -1.669163  -1.667251   0.081219   0.081785
     5  N    0.034821  -0.003988   0.067505  -0.082426  -0.008010   0.005572
     6  N   -0.536961   0.159544   0.103072   0.067510  -0.004026   0.034856
     7  C    4.474765   0.160758   0.159603  -0.003945  -0.000323   0.001173
     8  C    0.160758   4.474734  -0.536342   0.034717   0.001182  -0.002023
     9  N    0.159603  -0.536342  12.578847  -0.207863   0.005564  -0.007982
    10  N   -0.003945   0.034717  -0.207863  12.573967  -0.535853   0.159402
    11  C   -0.000323   0.001182   0.005564  -0.535853   4.474878   0.160581
    12  C    0.001173  -0.002023  -0.007982   0.159402   0.160581   4.474804
    13  N    0.005555  -0.008010  -0.082543   0.102906   0.159687  -0.537182
    14  H   -0.016134   0.342354  -0.205349   0.004341  -0.000122   0.000073
    15  H    0.012184   0.173506  -0.236641  -0.063064   0.001362  -0.000552
    16  H    0.342349  -0.015945   0.036251   0.008358  -0.000098  -0.000121
    17  H    0.173231   0.012220  -0.109626  -0.000207  -0.000012   0.000242
    18  H   -0.000098  -0.000121   0.000458  -0.204836   0.342435  -0.016244
    19  H   -0.000013   0.000241   0.005882  -0.236638   0.173316   0.012299
    20  H   -0.000122   0.000073   0.000497   0.036043  -0.015786   0.342222
    21  H    0.001372  -0.000556   0.000597  -0.109396   0.012187   0.173409
    22  H    0.000073  -0.000122   0.004328   0.000461  -0.000122  -0.000098
    23  H   -0.000554   0.001368  -0.063071   0.005856   0.000242  -0.000014
    24  H   -0.000122  -0.000098   0.008332   0.000497   0.000073  -0.000122
    25  H    0.000242  -0.000012  -0.000196   0.000595  -0.000560   0.001372
    26  H    0.006121  -0.002183  -0.029813  -0.002972   0.000056  -0.000862
    27  H   -0.004454  -0.003266  -0.001699   0.001896   0.000270   0.000972
    28  H    0.000057  -0.000868   0.022904   0.003096   0.006135  -0.002211
    29  H    0.000263   0.000972  -0.021605   0.020716  -0.004486  -0.003272
    30  H   -0.000862   0.000056  -0.002979  -0.021246  -0.051701   0.082583
    31  H    0.000970   0.000270   0.001898   0.010905  -0.014003   0.116232
    32  H   -0.002232   0.006157   0.003007  -0.519772   0.082358  -0.051697
    33  H   -0.003276  -0.004474   0.020729  -0.798378   0.115854  -0.013896
    34  H    0.082563  -0.051659  -0.021344  -0.029940  -0.002147   0.006096
    35  H    0.116278  -0.013991   0.010970  -0.001704  -0.003264  -0.004449
    36  H   -0.051652   0.082557  -0.521044   0.022881  -0.000869   0.000059
    37  H   -0.013980   0.116117  -0.798740  -0.021571   0.000972   0.000263
              13         14         15         16         17         18
     1  C    0.034847  -0.000098  -0.000013  -0.000122   0.001371   0.000073
     2  C   -0.004006  -0.000121   0.000241   0.000073  -0.000556  -0.000122
     3  N    0.067150   0.000457   0.005867   0.000498   0.000594   0.004331
     4  Rh  -1.668232   0.035562   0.138267   0.035725   0.137942   0.035579
     5  N   -0.207552   0.008321  -0.000212   0.004332  -0.063171   0.000497
     6  N   -0.207579   0.036398  -0.109574  -0.206323  -0.235072   0.008295
     7  C    0.005555  -0.016134   0.012184   0.342349   0.173231  -0.000098
     8  C   -0.008010   0.342354   0.173506  -0.015945   0.012220  -0.000121
     9  N   -0.082543  -0.205349  -0.236641   0.036251  -0.109626   0.000458
    10  N    0.102906   0.004341  -0.063064   0.008358  -0.000207  -0.204836
    11  C    0.159687  -0.000122   0.001362  -0.000098  -0.000012   0.342435
    12  C   -0.537182   0.000073  -0.000552  -0.000121   0.000242  -0.016244
    13  N   12.574050   0.000497   0.000589   0.000454   0.005838   0.036298
    14  H    0.000497   1.389400  -0.287087  -0.014462  -0.048412   0.000006
    15  H    0.000589  -0.287087   1.314471  -0.048414   0.069182   0.000155
    16  H    0.000454  -0.014462  -0.048414   1.389438  -0.287126  -0.000042
    17  H    0.005838  -0.048412   0.069182  -0.287126   1.314334  -0.000001
    18  H    0.036298   0.000006   0.000155  -0.000042  -0.000001   1.389349
    19  H   -0.109651  -0.000011   0.000278  -0.000001  -0.000012  -0.287223
    20  H   -0.206319  -0.000001   0.000023   0.000006  -0.000011  -0.014639
    21  H   -0.234766   0.000023   0.000473   0.000157   0.000277  -0.048220
    22  H    0.008321   0.000006  -0.000011  -0.000001   0.000023   0.000006
    23  H   -0.000195   0.000156   0.000278   0.000023   0.000474  -0.000011
    24  H    0.004335  -0.000043  -0.000001   0.000006   0.000157  -0.000001
    25  H   -0.063141  -0.000001  -0.000012  -0.000011   0.000277   0.000023
    26  H    0.022818  -0.000613   0.000500  -0.002901   0.024507   0.000013
    27  H   -0.021646  -0.000689  -0.000234   0.000215   0.006946  -0.000020
    28  H   -0.029497   0.000005  -0.000344   0.000013  -0.000106  -0.002904
    29  H   -0.001681  -0.000075   0.000152  -0.000020  -0.000007   0.000216
    30  H   -0.518588   0.000013  -0.000106   0.000005  -0.000343   0.004852
    31  H   -0.797165  -0.000020  -0.000006  -0.000075   0.000155  -0.007808
    32  H   -0.021435  -0.002897   0.024443  -0.000625   0.000501  -0.033129
    33  H    0.011055   0.000212   0.006920  -0.000693  -0.000234   0.086456
    34  H    0.003260   0.004814   0.009070  -0.033099   0.062457  -0.000603
    35  H    0.020411  -0.007808  -0.001686   0.086886  -0.001980  -0.000686
    36  H   -0.002969  -0.033122   0.062654   0.004863   0.009064   0.000005
    37  H    0.001894   0.086593  -0.001464  -0.007801  -0.001663  -0.000076
              19         20         21         22         23         24
     1  C   -0.000555  -0.000122   0.000243  -0.016039   0.012310   0.342327
     2  C    0.001365  -0.000098  -0.000013   0.342346   0.173442  -0.015951
     3  N   -0.063089   0.008363  -0.000200  -0.205312  -0.236317   0.036124
     4  Rh   0.138312   0.035760   0.137737   0.035623   0.138161   0.035742
     5  N    0.000587   0.000461   0.005825   0.036227  -0.109565  -0.206082
     6  N   -0.000198   0.004321  -0.063102   0.000499   0.000590   0.000455
     7  C   -0.000013  -0.000122   0.001372   0.000073  -0.000554  -0.000122
     8  C    0.000241   0.000073  -0.000556  -0.000122   0.001368  -0.000098
     9  N    0.005882   0.000497   0.000597   0.004328  -0.063071   0.008332
    10  N   -0.236638   0.036043  -0.109396   0.000461   0.005856   0.000497
    11  C    0.173316  -0.015786   0.012187  -0.000122   0.000242   0.000073
    12  C    0.012299   0.342222   0.173409  -0.000098  -0.000014  -0.000122
    13  N   -0.109651  -0.206319  -0.234766   0.008321  -0.000195   0.004335
    14  H   -0.000011  -0.000001   0.000023   0.000006   0.000156  -0.000043
    15  H    0.000278   0.000023   0.000473  -0.000011   0.000278  -0.000001
    16  H   -0.000001   0.000006   0.000157  -0.000001   0.000023   0.000006
    17  H   -0.000012  -0.000011   0.000277   0.000023   0.000474   0.000157
    18  H   -0.287223  -0.014639  -0.048220   0.000006  -0.000011  -0.000001
    19  H    1.315052  -0.048088   0.069033   0.000155   0.000279   0.000023
    20  H   -0.048088   1.389061  -0.286800  -0.000043  -0.000001   0.000006
    21  H    0.069033  -0.286800   1.313654  -0.000001  -0.000012  -0.000011
    22  H    0.000155  -0.000043  -0.000001   1.389059  -0.287053  -0.014590
    23  H    0.000279  -0.000001  -0.000012  -0.287053   1.314475  -0.048202
    24  H    0.000023   0.000006  -0.000011  -0.014590  -0.048202   1.389328
    25  H    0.000474   0.000157   0.000278  -0.048194   0.069028  -0.287090
    26  H   -0.000106   0.000005  -0.000342   0.004869   0.008993  -0.033115
    27  H   -0.000007  -0.000075   0.000156  -0.007803  -0.001671   0.086837
    28  H    0.024506  -0.000619   0.000497  -0.033156   0.062619   0.004910
    29  H    0.006908  -0.000692  -0.000236   0.086650  -0.001537  -0.007799
    30  H    0.008983  -0.033182   0.062420  -0.000606   0.000494  -0.002907
    31  H   -0.001661   0.086930  -0.002061  -0.000688  -0.000235   0.000216
    32  H    0.062622   0.004930   0.008929   0.000005  -0.000344   0.000013
    33  H   -0.001360  -0.007795  -0.001688  -0.000075   0.000152  -0.000020
    34  H    0.000496  -0.002900   0.024493   0.000013  -0.000106   0.000005
    35  H   -0.000235   0.000213   0.006948  -0.000020  -0.000007  -0.000075
    36  H   -0.000345   0.000013  -0.000106  -0.002900   0.024478  -0.000618
    37  H    0.000152  -0.000020  -0.000008   0.000215   0.006915  -0.000690
              25         26         27         28         29         30
     1  C    0.173427   0.082472   0.116075  -0.051700  -0.013955   0.006113
     2  C    0.012210  -0.051696  -0.013936   0.082511   0.115990  -0.002165
     3  N   -0.109497  -0.021355   0.010908  -0.520372  -0.798571  -0.029804
     4  Rh   0.137848   0.189239   0.258746   0.189411   0.258882   0.189158
     5  N   -0.235003  -0.518229  -0.797123  -0.021421   0.010987   0.003268
     6  N    0.005853   0.003195   0.020368  -0.002983   0.001896   0.022808
     7  C    0.000242   0.006121  -0.004454   0.000057   0.000263  -0.000862
     8  C   -0.000012  -0.002183  -0.003266  -0.000868   0.000972   0.000056
     9  N   -0.000196  -0.029813  -0.001699   0.022904  -0.021605  -0.002979
    10  N    0.000595  -0.002972   0.001896   0.003096   0.020716  -0.021246
    11  C   -0.000560   0.000056   0.000270   0.006135  -0.004486  -0.051701
    12  C    0.001372  -0.000862   0.000972  -0.002211  -0.003272   0.082583
    13  N   -0.063141   0.022818  -0.021646  -0.029497  -0.001681  -0.518588
    14  H   -0.000001  -0.000613  -0.000689   0.000005  -0.000075   0.000013
    15  H   -0.000012   0.000500  -0.000234  -0.000344   0.000152  -0.000106
    16  H   -0.000011  -0.002901   0.000215   0.000013  -0.000020   0.000005
    17  H    0.000277   0.024507   0.006946  -0.000106  -0.000007  -0.000343
    18  H    0.000023   0.000013  -0.000020  -0.002904   0.000216   0.004852
    19  H    0.000474  -0.000106  -0.000007   0.024506   0.006908   0.008983
    20  H    0.000157   0.000005  -0.000075  -0.000619  -0.000692  -0.033182
    21  H    0.000278  -0.000342   0.000156   0.000497  -0.000236   0.062420
    22  H   -0.048194   0.004869  -0.007803  -0.033156   0.086650  -0.000606
    23  H    0.069028   0.008993  -0.001671   0.062619  -0.001537   0.000494
    24  H   -0.287090  -0.033115   0.086837   0.004910  -0.007799  -0.002907
    25  H    1.314213   0.062438  -0.001965   0.008935  -0.001665   0.024538
    26  H    0.062438   0.801528  -0.031955  -0.001233   0.001217   0.000073
    27  H   -0.001965  -0.031955   0.934304   0.001237  -0.002777   0.009975
    28  H    0.008935  -0.001233   0.001237   0.802540  -0.031611   0.028189
    29  H   -0.001665   0.001217  -0.002777  -0.031611   0.935099   0.001620
    30  H    0.024538   0.000073   0.009975   0.028189   0.001620   0.801857
    31  H    0.006934  -0.004149   0.012892   0.001588  -0.000394  -0.031908
    32  H   -0.000106   0.000524   0.000096   0.000068  -0.004180  -0.001237
    33  H   -0.000008   0.000096  -0.000148   0.009993   0.012811   0.001196
    34  H   -0.000343   0.000079  -0.004149   0.000525   0.000095   0.000077
    35  H    0.000155   0.009977   0.012930   0.000096  -0.000148  -0.004146
    36  H    0.000498   0.028187   0.001608   0.000071   0.009999   0.000524
    37  H   -0.000235   0.001621  -0.000391  -0.004179   0.012833   0.000095
              31         32         33         34         35         36
     1  C   -0.004461   0.000058   0.000262  -0.000865   0.000972  -0.002187
     2  C   -0.003263  -0.000868   0.000975   0.000057   0.000269   0.006121
     3  N   -0.001662   0.022901  -0.021599  -0.002974   0.001900   0.003134
     4  Rh   0.258734   0.189443   0.258740   0.189546   0.258935   0.189869
     5  N    0.020405  -0.002976   0.001883   0.022824  -0.021667  -0.029664
     6  N   -0.021611  -0.029574  -0.001754  -0.519217  -0.797895  -0.021484
     7  C    0.000970  -0.002232  -0.003276   0.082563   0.116278  -0.051652
     8  C    0.000270   0.006157  -0.004474  -0.051659  -0.013991   0.082557
     9  N    0.001898   0.003007   0.020729  -0.021344   0.010970  -0.521044
    10  N    0.010905  -0.519772  -0.798378  -0.029940  -0.001704   0.022881
    11  C   -0.014003   0.082358   0.115854  -0.002147  -0.003264  -0.000869
    12  C    0.116232  -0.051697  -0.013896   0.006096  -0.004449   0.000059
    13  N   -0.797165  -0.021435   0.011055   0.003260   0.020411  -0.002969
    14  H   -0.000020  -0.002897   0.000212   0.004814  -0.007808  -0.033122
    15  H   -0.000006   0.024443   0.006920   0.009070  -0.001686   0.062654
    16  H   -0.000075  -0.000625  -0.000693  -0.033099   0.086886   0.004863
    17  H    0.000155   0.000501  -0.000234   0.062457  -0.001980   0.009064
    18  H   -0.007808  -0.033129   0.086456  -0.000603  -0.000686   0.000005
    19  H   -0.001661   0.062622  -0.001360   0.000496  -0.000235  -0.000345
    20  H    0.086930   0.004930  -0.007795  -0.002900   0.000213   0.000013
    21  H   -0.002061   0.008929  -0.001688   0.024493   0.006948  -0.000106
    22  H   -0.000688   0.000005  -0.000075   0.000013  -0.000020  -0.002900
    23  H   -0.000235  -0.000344   0.000152  -0.000106  -0.000007   0.024478
    24  H    0.000216   0.000013  -0.000020   0.000005  -0.000075  -0.000618
    25  H    0.006934  -0.000106  -0.000008  -0.000343   0.000155   0.000498
    26  H   -0.004149   0.000524   0.000096   0.000079   0.009977   0.028187
    27  H    0.012892   0.000096  -0.000148  -0.004149   0.012930   0.001608
    28  H    0.001588   0.000068   0.009993   0.000525   0.000096   0.000071
    29  H   -0.000394  -0.004180   0.012811   0.000095  -0.000148   0.009999
    30  H   -0.031908  -0.001237   0.001196   0.000077  -0.004146   0.000524
    31  H    0.933972   0.001247  -0.002781   0.009972   0.012898   0.000095
    32  H    0.001247   0.802037  -0.031620   0.028206   0.001593   0.000078
    33  H   -0.002781  -0.031620   0.935382   0.001637  -0.000388  -0.004182
    34  H    0.009972   0.028206   0.001637   0.801952  -0.031609  -0.001216
    35  H    0.012898   0.001593  -0.000388  -0.031609   0.934200   0.001230
    36  H    0.000095   0.000078  -0.004182  -0.001216   0.001230   0.802616
    37  H   -0.000148   0.009986   0.012833   0.001206  -0.002781  -0.031369
              37
     1  C   -0.003264
     2  C   -0.004479
     3  N    0.020733
     4  Rh   0.258901
     5  N   -0.001720
     6  N    0.011019
     7  C   -0.013980
     8  C    0.116117
     9  N   -0.798740
    10  N   -0.021571
    11  C    0.000972
    12  C    0.000263
    13  N    0.001894
    14  H    0.086593
    15  H   -0.001464
    16  H   -0.007801
    17  H   -0.001663
    18  H   -0.000076
    19  H    0.000152
    20  H   -0.000020
    21  H   -0.000008
    22  H    0.000215
    23  H    0.006915
    24  H   -0.000690
    25  H   -0.000235
    26  H    0.001621
    27  H   -0.000391
    28  H   -0.004179
    29  H    0.012833
    30  H    0.000095
    31  H   -0.000148
    32  H    0.009986
    33  H    0.012833
    34  H    0.001206
    35  H   -0.002781
    36  H   -0.031369
    37  H    0.934612
 Mulliken charges:
               1
     1  C    0.989454
     2  C    0.989180
     3  N   -1.337434
     4  Rh   2.044913
     5  N   -1.337365
     6  N   -1.337597
     7  C    0.989495
     8  C    0.988786
     9  N   -1.337129
    10  N   -1.336915
    11  C    0.988982
    12  C    0.989853
    13  N   -1.337807
    14  H   -0.292166
    15  H   -0.071194
    16  H   -0.291772
    17  H   -0.071252
    18  H   -0.292266
    19  H   -0.071771
    20  H   -0.291771
    21  H   -0.071192
    22  H   -0.292044
    23  H   -0.071440
    24  H   -0.291854
    25  H   -0.071454
    26  H    0.452999
    27  H    0.417575
    28  H    0.453298
    29  H    0.417404
    30  H    0.452878
    31  H    0.417785
    32  H    0.453492
    33  H    0.417180
    34  H    0.452728
    35  H    0.417677
    36  H    0.453125
    37  H    0.417620
 Sum of Mulliken charges =   3.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.626146
     2  C    0.625696
     3  N   -0.466732
     4  Rh   2.044913
     5  N   -0.466791
     6  N   -0.467192
     7  C    0.626471
     8  C    0.625426
     9  N   -0.466385
    10  N   -0.466242
    11  C    0.624944
    12  C    0.626890
    13  N   -0.467144
 Electronic spatial extent (au):  <R**2>=           2775.0496
 Charge=              3.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              0.0005    Y=              0.0004    Z=              0.0022  Tot=              0.0023
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -32.3188   YY=            -32.3230   ZZ=            -52.4769
   XY=             -0.0018   XZ=             -0.0012   YZ=             -0.0019
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              6.7207   YY=              6.7165   ZZ=            -13.4373
   XY=             -0.0018   XZ=             -0.0012   YZ=             -0.0019
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             20.4034  YYY=            -30.5598  ZZZ=              0.0142  XYY=            -20.3959
  XXY=             30.5655  XXZ=              0.0035  XZZ=              0.0111  YZZ=             -0.0005
  YYZ=             -0.0012  XYZ=              0.0012
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -974.6018 YYYY=           -974.4086 ZZZZ=           -414.6916 XXXY=             -0.0261
 XXXZ=            -31.4365 YYYX=             -0.0190 YYYZ=            -20.9801 ZZZX=             -0.0083
 ZZZY=             -0.0116 XXYY=           -324.8478 XXZZ=           -242.1117 YYZZ=           -242.0874
 XXYZ=             20.9519 YYXZ=             31.4281 ZZXY=              0.0012
 N-N= 1.198104516870D+03 E-N=-3.901026560003D+03  KE= 6.045268737193D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Fri Jul 16 15:19:26 2021, MaxMem=  5637144576 cpu:              12.9 elap:               2.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 1.91296448D-04 1.38903366D-04 8.50858411D-04
 Polarizability= 1.47873068D+02-2.36766975D-03 1.47869736D+02
                -9.99417547D-05-2.53382388D-03 1.22516732D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 2     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 3     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 4     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 5     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 6      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.0021    0.0002        0.0014   -0.0014
 2     -0.0021   -0.0002        0.0012    0.0015       -0.0018   -0.0018
 3     -0.0014    0.0014       13.7303   13.7247       -0.0013   -0.0015
 4     -0.0012   -0.0015        0.0000    0.0000        0.0026    0.0014
 5    -13.7285  -13.7229       -0.0026   -0.0014       -0.0002    0.0002
 6      0.0013    0.0015        0.0002   -0.0002        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.0005   -0.0005       -0.0042   -0.0042
 2     -0.0045   -0.0045       -0.0000    0.0000       -0.0042   -0.0042
 3     -0.0045   -0.0045       -0.0005   -0.0005       -0.0000    0.0000
 4     -0.0005   -0.0005        0.0045    0.0045       -0.0053   -0.0053
 5      0.0042    0.0042       41.1741   41.1741       -0.0045   -0.0045
 6    -41.1688  -41.1688       -0.0042   -0.0042        0.0005    0.0005
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0463    0.0000       -0.1049   -0.0007        0.0102    0.0056
 2      0.0137    0.0007        0.0075   -0.0060        0.1105    0.0071
 3      0.0766   -0.0056      -54.8813  -54.8988        0.0733    0.0060
 4      0.0078    0.0060       -0.1537    0.0000        0.0218   -0.0056
 5     54.8758   54.8917        0.0297    0.0056        0.0484   -0.0007
 6     -0.0234   -0.0060       -0.0653    0.0007       -0.0399    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.2404    0.0000       -0.6350   -0.0137       -0.6112   -0.0234
 2     -0.3160    0.0137        0.1350   -0.0076       -0.1667   -0.0256
 3     -0.2096    0.0234        5.8407    6.3675       -0.4441    0.0076
 4      0.0746    0.0076        0.4890    0.0000        0.1821    0.0234
 5     -5.8647   -6.3418        0.2324   -0.0234        0.2493   -0.0137
 6      0.1082   -0.0076        0.1058    0.0137        0.2836    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1    -59.4723  -59.5169      -89.1367  -89.1939        0.0074    0.0211
 2    -59.5195  -59.5309      -89.1158  -89.2015       -0.0032    0.0211
 3    -59.4734  -59.5309      -89.1444  -89.1939        0.0327    0.0261
 4      0.0438    0.0076       -0.0485    0.0139        0.2151   -0.0000
 5     -0.0353    0.0050      -30.8675  -31.0438       -0.1558   -0.0139
 6     31.0612   31.0438        0.0378   -0.0050       -0.1601   -0.0076
 Full mass-weighted force constant matrix:
 Low frequencies ---   -7.2086   -0.0004   -0.0003    0.0004    3.3662   11.2833
 Low frequencies ---   79.3119   82.1585   89.6210
 Diagonal vibrational polarizability:
       12.5681142      12.4987150      14.3707008
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --     79.3063                82.1497                89.6203
 Red. masses --      2.9290                 2.9306                 2.8178
 Frc consts  --      0.0109                 0.0117                 0.0133
 IR Inten    --      0.0043                 0.0049                 0.0046
 RamAct Fr= 1--      1.2258                 1.1840                 0.0462
  Dep-P Fr= 1--      0.7500                 0.7500                 0.7477
  Dep-U Fr= 1--      0.8571                 0.8571                 0.8556
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.1751                 0.1691                 0.0066
 AlphaG Fr= 1--     -0.0000                 0.0000                 0.0000
 Gamma2 Fr= 1--     -0.5354                -0.5274                -0.0198
 Delta2 Fr= 1--     -0.0532                -0.0572                -0.0020
 Raman1 Fr= 1--       4.903                  4.736                  0.185
 ROA1   Fr= 1--     -53.098                -52.463                 -1.962
 CID1   Fr= 1--     -10.830                -11.077                -10.611
 Raman2 Fr= 1--       2.101                  2.030                  0.079
 ROA2   Fr= 1--     -12.422                -12.201                 -0.458
 CID2   Fr= 1--      -5.912                 -6.011                 -5.794
 Raman3 Fr= 1--       4.203                  4.059                  0.158
 ROA3   Fr= 1--     -53.098                -52.463                 -1.962
 CID3   Fr= 1--     -12.635                -12.924                -12.401
 RC180  Fr= 1--       0.714                  0.714                  0.711
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.06  -0.01     0.18  -0.05  -0.04     0.06  -0.08  -0.11
     2   6     0.06  -0.05  -0.02     0.17  -0.00  -0.04     0.09   0.05  -0.11
     3   7     0.02  -0.06  -0.01    -0.01  -0.04   0.03    -0.04   0.05   0.04
     4  45    -0.02  -0.04   0.00    -0.04   0.02  -0.01    -0.01   0.00   0.05
     5   7    -0.04  -0.03   0.03     0.03   0.05   0.02    -0.05  -0.03   0.03
     6   7    -0.07   0.01   0.01    -0.02   0.03  -0.04     0.06  -0.03   0.02
     7   6    -0.06   0.15  -0.05    -0.03  -0.14   0.06     0.04   0.04  -0.09
     8   6    -0.09   0.10  -0.04     0.05  -0.15   0.06    -0.06  -0.01  -0.09
     9   7     0.01  -0.02   0.04    -0.04  -0.03  -0.01    -0.04  -0.07   0.03
    10   7     0.05  -0.02  -0.02    -0.06  -0.01  -0.04     0.06   0.01   0.03
    11   6     0.11   0.16   0.06    -0.02   0.07   0.03     0.01  -0.06  -0.10
    12   6     0.15   0.10   0.06     0.04   0.08   0.04    -0.07   0.02  -0.10
    13   7    -0.03   0.01  -0.04    -0.02   0.05   0.01    -0.00   0.08   0.03
    14   1    -0.07   0.19  -0.06     0.05  -0.26   0.13    -0.07   0.03  -0.16
    15   1    -0.20   0.04  -0.08     0.19  -0.11   0.05    -0.15  -0.04  -0.10
    16   1    -0.13   0.23  -0.10     0.05  -0.21   0.10     0.03   0.08  -0.16
    17   1     0.06   0.20  -0.03    -0.16  -0.17   0.09     0.13   0.07  -0.10
    18   1     0.24   0.21   0.11     0.01   0.08   0.04    -0.03  -0.10  -0.17
    19   1    -0.01   0.27   0.06    -0.08   0.10   0.07     0.09  -0.13  -0.10
    20   1     0.18   0.23   0.10     0.07   0.14   0.09    -0.10  -0.02  -0.17
    21   1     0.27  -0.01   0.08     0.11   0.04   0.01    -0.15   0.10  -0.11
    22   1     0.10  -0.07  -0.05     0.26  -0.08  -0.07     0.16   0.02  -0.19
    23   1     0.09  -0.00   0.01     0.19   0.14  -0.06     0.11   0.20  -0.12
    24   1     0.03  -0.04  -0.01     0.30  -0.01  -0.08     0.15  -0.07  -0.20
    25   1    -0.01  -0.09  -0.05     0.15  -0.19  -0.04     0.03  -0.22  -0.12
    26   1    -0.03  -0.00   0.08     0.08   0.16   0.09    -0.02   0.04   0.14
    27   1    -0.10  -0.02   0.03    -0.05   0.05   0.01    -0.18  -0.07   0.03
    28   1     0.02  -0.09  -0.02    -0.00  -0.15   0.12    -0.04  -0.03   0.15
    29   1     0.02  -0.05  -0.01    -0.10   0.00   0.02    -0.15   0.14   0.03
    30   1    -0.10   0.11  -0.14    -0.05   0.08  -0.01     0.02   0.04   0.12
    31   1    -0.08  -0.10  -0.03    -0.02   0.02   0.01     0.02   0.20   0.03
    32   1     0.15  -0.08  -0.11    -0.01  -0.02  -0.11     0.01   0.02   0.10
    33   1    -0.04  -0.08  -0.02    -0.13  -0.05  -0.03     0.16   0.03   0.02
    34   1    -0.16  -0.01   0.06     0.07   0.03  -0.15     0.02  -0.03   0.10
    35   1    -0.02  -0.04   0.00    -0.10   0.13  -0.03     0.14  -0.09   0.02
    36   1     0.08   0.03   0.13    -0.12  -0.08  -0.08    -0.01  -0.04   0.11
    37   1     0.02  -0.13   0.03    -0.03   0.06  -0.01    -0.06  -0.17   0.03
                      4                      5                      6
                      A                      A                      A
 Frequencies --    145.4431               146.0857               167.3231
 Red. masses --      2.9558                 2.9495                 2.6774
 Frc consts  --      0.0368                 0.0371                 0.0442
 IR Inten    --      0.9057                 0.8614                 0.0103
 RamAct Fr= 1--      0.3081                 0.3259                 1.5538
  Dep-P Fr= 1--      0.7497                 0.7490                 0.6952
  Dep-U Fr= 1--      0.8570                 0.8565                 0.8202
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0015
 Beta2  Fr= 1--      0.0440                 0.0465                 0.2124
 AlphaG Fr= 1--     -0.0000                -0.0000                -0.0107
 Gamma2 Fr= 1--      0.7351                 0.7571                -1.4467
 Delta2 Fr= 1--      0.1994                 0.2044                -0.4408
 Raman1 Fr= 1--       1.232                  1.304                  6.215
 ROA1   Fr= 1--      76.949                 79.220               -152.987
 CID1   Fr= 1--      62.449                 60.761                -24.615
 Raman2 Fr= 1--       0.528                  0.558                  2.549
 ROA2   Fr= 1--      16.047                 16.534                -31.194
 CID2   Fr= 1--      30.393                 29.614                -12.239
 Raman3 Fr= 1--       1.056                  1.117                  5.098
 ROA3   Fr= 1--      76.949                 79.220               -152.987
 CID3   Fr= 1--      72.871                 70.943                -30.012
 RC180  Fr= 1--       0.714                  0.713                  0.640
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.05   0.07     0.11  -0.03   0.06     0.08  -0.04  -0.01
     2   6     0.12  -0.02   0.05    -0.04  -0.04   0.07    -0.10  -0.00   0.01
     3   7     0.11  -0.04  -0.05    -0.08  -0.04   0.08    -0.09   0.02   0.07
     4  45    -0.01   0.01   0.00    -0.01  -0.01   0.00     0.00   0.00  -0.00
     5   7    -0.06   0.06   0.08     0.12  -0.00  -0.05     0.08  -0.02  -0.07
     6   7     0.06  -0.04  -0.00     0.01  -0.12   0.09    -0.02   0.09  -0.07
     7   6     0.04  -0.07  -0.08    -0.01  -0.09   0.03    -0.00   0.10  -0.01
     8   6    -0.02  -0.04  -0.09    -0.06   0.10   0.01     0.06  -0.09   0.01
     9   7    -0.05  -0.02  -0.04    -0.05   0.12  -0.08     0.04  -0.09   0.07
    10   7     0.05   0.11   0.09     0.08   0.03   0.01     0.05   0.07   0.07
    11   6     0.03   0.09   0.04     0.07   0.06  -0.08     0.04   0.09   0.01
    12   6    -0.10  -0.07   0.01    -0.01   0.04  -0.09    -0.08  -0.06  -0.01
    13   7    -0.09  -0.09  -0.08    -0.05   0.03  -0.05    -0.06  -0.07  -0.07
    14   1    -0.04  -0.05  -0.14    -0.07   0.17  -0.07     0.07  -0.17   0.10
    15   1    -0.04  -0.03  -0.06    -0.11   0.16   0.14     0.13  -0.14  -0.12
    16   1     0.08  -0.10  -0.09     0.01  -0.14   0.12    -0.05   0.17  -0.10
    17   1     0.04  -0.09  -0.12    -0.01  -0.16  -0.10     0.02   0.18   0.12
    18   1     0.07   0.13   0.13     0.12   0.07  -0.07     0.10   0.13   0.10
    19   1     0.05   0.16  -0.09     0.08   0.09  -0.13     0.05   0.17  -0.11
    20   1    -0.13  -0.14  -0.06    -0.03   0.05  -0.14    -0.12  -0.13  -0.09
    21   1    -0.16  -0.11   0.15    -0.04   0.03  -0.05    -0.16  -0.08   0.12
    22   1     0.17  -0.05   0.00    -0.08  -0.04   0.16    -0.17   0.03   0.09
    23   1     0.17  -0.01   0.15    -0.10  -0.05  -0.02    -0.17  -0.03  -0.11
    24   1    -0.06   0.06   0.15     0.18  -0.02   0.01     0.16  -0.04  -0.09
    25   1    -0.07   0.08  -0.03     0.16  -0.05   0.16     0.14  -0.10   0.11
    26   1    -0.05   0.06   0.16     0.11   0.03  -0.16     0.08   0.00  -0.14
    27   1    -0.13   0.12   0.07     0.23  -0.01  -0.04     0.15  -0.04  -0.06
    28   1     0.09  -0.07  -0.17    -0.07  -0.04   0.16    -0.08   0.04   0.14
    29   1     0.22  -0.07  -0.04    -0.16  -0.06   0.07    -0.17   0.03   0.06
    30   1    -0.06  -0.10  -0.22    -0.06   0.04  -0.07    -0.04  -0.08  -0.15
    31   1    -0.18  -0.18  -0.06    -0.10   0.04  -0.05    -0.12  -0.13  -0.06
    32   1     0.05   0.08   0.21     0.10   0.00   0.07     0.07   0.05   0.14
    33   1     0.10   0.21   0.08     0.14   0.05   0.00     0.09   0.13   0.06
    34   1     0.09  -0.03   0.05     0.01  -0.10   0.21    -0.05   0.08  -0.15
    35   1     0.11  -0.08  -0.00     0.02  -0.24   0.07    -0.04   0.17  -0.06
    36   1    -0.07  -0.03  -0.05    -0.02   0.11  -0.21     0.00  -0.09   0.15
    37   1    -0.10  -0.02  -0.04    -0.10   0.23  -0.06     0.07  -0.17   0.06
                      7                      8                      9
                      A                      A                      A
 Frequencies --    217.6300               219.9432               225.8217
 Red. masses --      2.8494                 2.8634                 2.9493
 Frc consts  --      0.0795                 0.0816                 0.0886
 IR Inten    --      3.9561                 3.8975                18.2078
 RamAct Fr= 1--      3.4270                 3.4564                 0.0535
  Dep-P Fr= 1--      0.7498                 0.7500                 0.7366
  Dep-U Fr= 1--      0.8570                 0.8571                 0.8483
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.4895                 0.4938                 0.0076
 AlphaG Fr= 1--      0.0000                -0.0000                 0.0000
 Gamma2 Fr= 1--      0.3437                 0.3751                 0.0023
 Delta2 Fr= 1--      0.2320                 0.2308                 0.0014
 Raman1 Fr= 1--      13.708                 13.826                  0.214
 ROA1   Fr= 1--      40.415                 43.396                  0.265
 CID1   Fr= 1--       2.948                  3.139                  1.238
 Raman2 Fr= 1--       5.874                  5.925                  0.091
 ROA2   Fr= 1--       6.393                  7.157                  0.045
 CID2   Fr= 1--       1.088                  1.208                  0.491
 Raman3 Fr= 1--      11.747                 11.850                  0.182
 ROA3   Fr= 1--      40.415                 43.396                  0.265
 CID3   Fr= 1--       3.440                  3.662                  1.459
 RC180  Fr= 1--       0.714                  0.714                  0.697
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.03   0.01    -0.05  -0.09   0.00    -0.03  -0.01  -0.04
     2   6     0.01  -0.07   0.00     0.01  -0.08  -0.00    -0.03   0.01  -0.04
     3   7     0.14  -0.06  -0.11    -0.01  -0.07   0.03     0.09   0.04  -0.04
     4  45    -0.00  -0.00   0.01     0.00  -0.00  -0.01     0.00  -0.00   0.08
     5   7     0.12  -0.03  -0.11    -0.10  -0.05   0.03     0.06  -0.08  -0.04
     6   7    -0.06  -0.01   0.02    -0.08   0.12  -0.10     0.03   0.12  -0.06
     7   6    -0.07   0.01  -0.01    -0.08   0.01   0.01     0.01  -0.02  -0.04
     8   6    -0.08  -0.07  -0.00     0.02   0.02   0.01     0.01  -0.02  -0.04
     9   7    -0.05  -0.10   0.03    -0.03   0.10  -0.10    -0.09   0.08  -0.06
    10   7     0.01   0.07   0.07     0.13   0.07   0.08     0.00  -0.11  -0.04
    11   6    -0.02   0.01  -0.01     0.10  -0.03  -0.00     0.03   0.01  -0.04
    12   6    -0.05   0.09  -0.01     0.01  -0.02  -0.00     0.02   0.01  -0.04
    13   7     0.03   0.13   0.07     0.08   0.02   0.08    -0.10  -0.03  -0.04
    14   1    -0.07  -0.06   0.02     0.03  -0.05   0.09    -0.01  -0.12  -0.03
    15   1    -0.09  -0.10  -0.05     0.14   0.05   0.01     0.12   0.02  -0.03
    16   1    -0.08   0.03  -0.06    -0.03  -0.05   0.07     0.09  -0.09  -0.03
    17   1    -0.04   0.04   0.04    -0.20  -0.03   0.03    -0.10  -0.06  -0.04
    18   1    -0.07  -0.02  -0.08     0.04  -0.06  -0.02     0.12   0.04  -0.04
    19   1     0.04  -0.06   0.01     0.18  -0.09  -0.04    -0.04   0.07  -0.04
    20   1    -0.06   0.05  -0.03    -0.03  -0.09  -0.08     0.03   0.11  -0.04
    21   1    -0.10   0.16  -0.04    -0.09   0.04   0.02     0.09  -0.05  -0.03
    22   1    -0.06  -0.03   0.06     0.05  -0.09  -0.05    -0.09   0.07  -0.05
    23   1    -0.01  -0.21   0.02     0.04  -0.03   0.04    -0.04  -0.08  -0.04
    24   1    -0.07   0.02   0.08    -0.03  -0.07   0.02    -0.11  -0.04  -0.04
    25   1     0.04   0.17   0.01    -0.08  -0.12  -0.04    -0.02   0.07  -0.04
    26   1     0.09  -0.07  -0.29    -0.08  -0.04   0.10     0.03  -0.11  -0.16
    27   1     0.30  -0.07  -0.09    -0.16  -0.03   0.02     0.17  -0.16  -0.02
    28   1     0.12  -0.01  -0.29    -0.01  -0.09   0.08     0.08   0.08  -0.17
    29   1     0.32  -0.09  -0.09    -0.06  -0.07   0.02     0.23   0.07  -0.02
    30   1     0.03   0.10   0.20     0.10  -0.02   0.21    -0.12   0.01  -0.19
    31   1     0.11   0.23   0.06     0.17   0.13   0.07    -0.24  -0.10  -0.02
    32   1    -0.02   0.07   0.18     0.10   0.07   0.23     0.05  -0.12  -0.18
    33   1     0.09   0.14   0.06     0.22   0.18   0.07    -0.05  -0.25  -0.02
    34   1    -0.08  -0.01   0.05    -0.04   0.10  -0.26     0.08   0.11  -0.22
    35   1    -0.05  -0.03   0.02    -0.14   0.27  -0.08     0.03   0.29  -0.03
    36   1    -0.05  -0.09   0.08    -0.06   0.07  -0.25    -0.13   0.04  -0.22
    37   1    -0.04  -0.14   0.02    -0.08   0.25  -0.08    -0.20   0.22  -0.03
                     10                     11                     12
                      A                      A                      A
 Frequencies --    251.8832               289.5113               290.1385
 Red. masses --      4.9302                 2.0243                 2.0434
 Frc consts  --      0.1843                 0.1000                 0.1013
 IR Inten    --      0.0006                 1.4305                 1.5222
 RamAct Fr= 1--     18.0685                 0.8882                 0.9141
  Dep-P Fr= 1--      0.0646                 0.7476                 0.7497
  Dep-U Fr= 1--      0.1213                 0.8555                 0.8569
 Alpha2 Fr= 1--      0.3447                 0.0000                 0.0000
 Beta2  Fr= 1--      0.3654                 0.1266                 0.1306
 AlphaG Fr= 1--      0.2275                -0.0000                -0.0000
 Gamma2 Fr= 1--      5.1247                 0.3972                 0.3798
 Delta2 Fr= 1--      0.4433                -0.1793                -0.1836
 Raman1 Fr= 1--      72.274                  3.553                  3.656
 ROA1   Fr= 1--     506.159                 32.393                 30.587
 CID1   Fr= 1--       7.003                  9.118                  8.365
 Raman2 Fr= 1--       4.384                  1.520                  1.567
 ROA2   Fr= 1--     119.448                 10.967                 10.584
 CID2   Fr= 1--      27.244                  7.216                  6.756
 Raman3 Fr= 1--       8.769                  3.039                  3.133
 ROA3   Fr= 1--     506.159                 32.393                 30.587
 CID3   Fr= 1--      57.723                 10.658                  9.762
 RC180  Fr= 1--      -0.757                  0.711                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05   0.18   0.00     0.06  -0.07  -0.00    -0.05   0.09   0.01
     2   6     0.03   0.18  -0.00    -0.07  -0.07   0.01     0.08   0.04  -0.00
     3   7    -0.04   0.14  -0.02     0.04  -0.03  -0.03    -0.05  -0.01  -0.01
     4  45    -0.00  -0.00  -0.00    -0.02   0.03  -0.00    -0.03  -0.02   0.00
     5   7     0.08   0.12   0.02    -0.04   0.03  -0.01     0.05   0.01  -0.03
     6   7    -0.15   0.01   0.02     0.03  -0.01   0.03     0.01  -0.06   0.00
     7   6    -0.18  -0.05   0.00     0.04   0.03  -0.01     0.05   0.12  -0.01
     8   6    -0.17  -0.07  -0.00     0.02  -0.03  -0.00     0.12  -0.05   0.01
     9   7    -0.11  -0.10  -0.02    -0.03   0.01   0.02    -0.02   0.06  -0.02
    10   7     0.14  -0.04  -0.02     0.04   0.06   0.01     0.03  -0.01   0.03
    11   6     0.14  -0.11  -0.00     0.00  -0.13  -0.01     0.02  -0.03  -0.01
    12   6     0.13  -0.13   0.00     0.13   0.01   0.01     0.02   0.02  -0.00
    13   7     0.06  -0.13   0.02    -0.04  -0.05  -0.02    -0.03   0.00   0.03
    14   1    -0.15  -0.01   0.02     0.01  -0.10   0.01     0.11  -0.26   0.13
    15   1    -0.20  -0.08  -0.01     0.08  -0.03  -0.04     0.33  -0.06  -0.11
    16   1    -0.12  -0.08  -0.02     0.01   0.08  -0.06    -0.09   0.27  -0.11
    17   1    -0.21  -0.06   0.01     0.09   0.08   0.03     0.21   0.25   0.12
    18   1     0.08  -0.13   0.02    -0.19  -0.22  -0.12    -0.00  -0.06  -0.05
    19   1     0.17  -0.14  -0.01     0.10  -0.31   0.12     0.05  -0.08   0.02
    20   1     0.13  -0.07  -0.02     0.20   0.20   0.13     0.03   0.07  -0.00
    21   1     0.16  -0.15   0.01     0.32  -0.07  -0.11     0.05   0.01  -0.03
    22   1     0.06   0.13   0.02    -0.19   0.01   0.10     0.21  -0.06  -0.07
    23   1     0.03   0.22  -0.01    -0.15  -0.19  -0.07     0.16   0.17   0.09
    24   1    -0.00   0.15  -0.02     0.21  -0.03  -0.07    -0.19   0.07   0.11
    25   1     0.06   0.21   0.01     0.08  -0.20   0.08    -0.07   0.24  -0.08
    26   1     0.08   0.11   0.00    -0.01   0.10   0.05     0.01  -0.04  -0.15
    27   1     0.10   0.11   0.02    -0.10   0.04  -0.02     0.16  -0.01  -0.02
    28   1    -0.03   0.13   0.01     0.02   0.02  -0.14    -0.05  -0.09   0.06
    29   1    -0.06   0.14  -0.02     0.14  -0.06  -0.02    -0.12   0.00  -0.02
    30   1     0.05  -0.12  -0.00    -0.08   0.03  -0.16    -0.06   0.03   0.04
    31   1     0.04  -0.15   0.02    -0.12  -0.15  -0.01    -0.03   0.01   0.03
    32   1     0.12  -0.03   0.01    -0.05   0.10   0.13     0.02  -0.02   0.09
    33   1     0.15  -0.02  -0.02     0.12   0.15  -0.00     0.07   0.03   0.02
    34   1    -0.13   0.01  -0.00     0.02   0.00   0.10    -0.09  -0.07   0.12
    35   1    -0.15   0.04   0.02     0.06  -0.07   0.02     0.05  -0.17  -0.01
    36   1    -0.09  -0.09   0.01    -0.08  -0.01   0.02    -0.09   0.01  -0.16
    37   1    -0.09  -0.12  -0.02    -0.04   0.02   0.02    -0.05   0.19  -0.01
                     13                     14                     15
                      A                      A                      A
 Frequencies --    311.9051               332.0750               332.8181
 Red. masses --      1.7074                 3.3015                 3.3205
 Frc consts  --      0.0979                 0.2145                 0.2167
 IR Inten    --      0.0010                 6.6984                 6.7156
 RamAct Fr= 1--      2.6519                 2.6158                 2.5947
  Dep-P Fr= 1--      0.3629                 0.7496                 0.7499
  Dep-U Fr= 1--      0.5325                 0.8569                 0.8571
 Alpha2 Fr= 1--      0.0223                 0.0000                 0.0000
 Beta2  Fr= 1--      0.2354                 0.3736                 0.3706
 AlphaG Fr= 1--     -0.0545                -0.0000                 0.0000
 Gamma2 Fr= 1--     -2.9571                -3.1991                -3.2252
 Delta2 Fr= 1--     -0.2168                -0.1689                -0.1719
 Raman1 Fr= 1--      10.608                 10.463                 10.379
 ROA1   Fr= 1--    -290.823               -312.518               -315.115
 CID1   Fr= 1--     -27.417                -29.868                -30.362
 Raman2 Fr= 1--       2.824                  4.483                  4.448
 ROA2   Fr= 1--     -69.236                -75.426                -76.028
 CID2   Fr= 1--     -24.513                -16.825                -17.094
 Raman3 Fr= 1--       5.649                  8.966                  8.895
 ROA3   Fr= 1--    -290.823               -312.518               -315.115
 CID3   Fr= 1--     -51.483                -34.857                -35.425
 RC180  Fr= 1--       0.065                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06   0.03   0.00    -0.05  -0.05   0.01    -0.08  -0.06  -0.00
     2   6     0.07   0.00  -0.00     0.02   0.01   0.01     0.06  -0.11  -0.00
     3   7    -0.05  -0.03   0.05     0.00   0.02   0.09    -0.03  -0.11   0.05
     4  45     0.00  -0.00  -0.00     0.09   0.01   0.00    -0.01   0.09  -0.00
     5   7     0.03  -0.05  -0.05    -0.01  -0.08   0.04    -0.01  -0.08  -0.10
     6   7     0.02   0.05  -0.05    -0.10  -0.04   0.06     0.03   0.01   0.09
     7   6     0.01  -0.06   0.00    -0.12   0.05  -0.00     0.02   0.01   0.01
     8   6    -0.03   0.06  -0.00    -0.05  -0.10  -0.00    -0.05  -0.04   0.01
     9   7     0.05  -0.03   0.05    -0.08  -0.02  -0.09    -0.07  -0.02   0.05
    10   7    -0.00   0.06   0.05    -0.08   0.07   0.00     0.03  -0.03  -0.11
    11   6    -0.03  -0.06  -0.00    -0.11   0.01  -0.01     0.06   0.01  -0.00
    12   6     0.05   0.04   0.00     0.00   0.05  -0.01     0.03  -0.11  -0.01
    13   7    -0.06  -0.00  -0.05    -0.02   0.02  -0.10     0.09  -0.07   0.01
    14   1    -0.03   0.18  -0.09    -0.03  -0.19   0.13    -0.06  -0.07  -0.01
    15   1    -0.17   0.06   0.07     0.09  -0.11  -0.09    -0.04  -0.05  -0.01
    16   1     0.09  -0.16   0.09    -0.17   0.13  -0.11     0.03   0.03  -0.06
    17   1    -0.10  -0.15  -0.08    -0.02   0.13   0.09     0.05   0.03   0.03
    18   1    -0.15  -0.12  -0.10    -0.17  -0.02  -0.05     0.11   0.07   0.12
    19   1     0.04  -0.18   0.08    -0.08  -0.06   0.05     0.01   0.11  -0.07
    20   1     0.10   0.16   0.10     0.05   0.09   0.11    -0.00  -0.18  -0.06
    21   1     0.18  -0.01  -0.08     0.10   0.02  -0.07    -0.06  -0.09   0.06
    22   1     0.18  -0.07  -0.10     0.05   0.02  -0.08     0.15  -0.15  -0.11
    23   1     0.14   0.13   0.08     0.05   0.07   0.04     0.13  -0.01   0.09
    24   1    -0.20   0.01   0.10    -0.09  -0.07   0.00    -0.18  -0.05   0.13
    25   1    -0.08   0.17  -0.08    -0.06  -0.03  -0.02    -0.11   0.08  -0.09
    26   1    -0.00  -0.11  -0.17    -0.02  -0.13   0.09    -0.05  -0.12  -0.29
    27   1     0.17  -0.06  -0.03    -0.06  -0.07   0.04     0.18  -0.15  -0.07
    28   1    -0.04  -0.10   0.17     0.03   0.03   0.24    -0.02  -0.18   0.18
    29   1    -0.17   0.00   0.03    -0.16   0.03   0.07    -0.17  -0.10   0.04
    30   1    -0.09   0.06  -0.17    -0.02   0.05  -0.29     0.12  -0.12   0.06
    31   1    -0.14  -0.11  -0.03    -0.17  -0.11  -0.08     0.13  -0.03   0.00
    32   1    -0.07   0.08   0.17    -0.13   0.11   0.03     0.06  -0.02  -0.30
    33   1     0.09   0.15   0.04    -0.06   0.11  -0.00    -0.09  -0.20  -0.08
    34   1     0.09   0.05  -0.17    -0.18  -0.04   0.20     0.04   0.03   0.22
    35   1    -0.03   0.17  -0.03    -0.07  -0.19   0.04     0.06  -0.13   0.07
    36   1     0.10   0.02   0.17    -0.13  -0.07  -0.28    -0.11  -0.03   0.13
    37   1     0.08  -0.15   0.03    -0.18   0.16  -0.07    -0.04  -0.09   0.04
                     16                     17                     18
                      A                      A                      A
 Frequencies --    402.3115               403.0990               403.5553
 Red. masses --      4.0000                 4.4349                 4.1794
 Frc consts  --      0.3814                 0.4246                 0.4010
 IR Inten    --      0.4422                 0.3988                 0.3922
 RamAct Fr= 1--      3.5577                 2.2618                 2.9833
  Dep-P Fr= 1--      0.7500                 0.7493                 0.7499
  Dep-U Fr= 1--      0.8571                 0.8567                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.5082                 0.3229                 0.4262
 AlphaG Fr= 1--     -0.0000                -0.0000                -0.0000
 Gamma2 Fr= 1--      0.7305                 0.4819                 0.6320
 Delta2 Fr= 1--      0.2199                 0.1384                 0.1823
 Raman1 Fr= 1--      14.231                  9.047                 11.933
 ROA1   Fr= 1--      77.169                 50.687                 66.503
 CID1   Fr= 1--       5.423                  5.602                  5.573
 Raman2 Fr= 1--       6.099                  3.875                  5.114
 ROA2   Fr= 1--      15.773                 10.457                 13.709
 CID2   Fr= 1--       2.586                  2.699                  2.681
 Raman3 Fr= 1--      12.198                  7.750                 10.228
 ROA3   Fr= 1--      77.169                 50.687                 66.503
 CID3   Fr= 1--       6.327                  6.540                  6.502
 RC180  Fr= 1--       0.714                  0.713                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.07  -0.04     0.01   0.10  -0.08    -0.00  -0.05   0.04
     2   6    -0.01  -0.03  -0.04    -0.04  -0.12  -0.08     0.02   0.05   0.04
     3   7    -0.04  -0.05  -0.02    -0.14  -0.17  -0.11     0.05   0.06   0.03
     4  45     0.00  -0.07   0.04     0.05   0.03   0.07    -0.06   0.02   0.06
     5   7    -0.04   0.12  -0.07    -0.05   0.18  -0.09     0.02  -0.08   0.03
     6   7     0.08   0.08   0.05    -0.10  -0.11  -0.08    -0.10  -0.11  -0.07
     7   6     0.06   0.03   0.05    -0.07  -0.04  -0.05    -0.08  -0.03  -0.07
     8   6    -0.06  -0.01   0.05     0.05   0.02  -0.05     0.11   0.02  -0.07
     9   7    -0.09   0.01   0.04     0.10  -0.02  -0.04     0.19  -0.03  -0.10
    10   7    -0.07   0.19  -0.10     0.01  -0.02   0.01    -0.04   0.11  -0.05
    11   6    -0.08   0.09  -0.07     0.01  -0.02   0.02    -0.04   0.04  -0.05
    12   6     0.07  -0.06  -0.07    -0.03   0.02   0.02     0.08  -0.05  -0.05
    13   7     0.16  -0.04  -0.07    -0.04   0.01   0.02     0.16  -0.04  -0.08
    14   1    -0.09  -0.00  -0.04     0.09   0.05   0.04     0.17   0.07   0.09
    15   1    -0.09   0.00   0.09     0.05   0.01  -0.07     0.14   0.00  -0.12
    16   1     0.09   0.05  -0.05    -0.14  -0.03   0.06    -0.14  -0.04   0.06
    17   1     0.08   0.06   0.09    -0.08  -0.05  -0.08    -0.09  -0.06  -0.11
    18   1    -0.15   0.13   0.09    -0.00  -0.04  -0.02    -0.09   0.06   0.04
    19   1    -0.08   0.13  -0.13     0.02  -0.04   0.05    -0.04   0.06  -0.09
    20   1     0.12  -0.11   0.07    -0.05   0.00  -0.02     0.11  -0.11   0.07
    21   1     0.11  -0.05  -0.12    -0.06   0.02   0.05     0.10  -0.05  -0.09
    22   1    -0.00  -0.06   0.02    -0.03  -0.21   0.10     0.04   0.06  -0.04
    23   1    -0.02  -0.04  -0.06    -0.07  -0.13  -0.14     0.04   0.07   0.08
    24   1     0.03   0.11   0.06     0.05   0.17   0.08     0.01  -0.08  -0.04
    25   1    -0.01   0.08  -0.06    -0.01   0.13  -0.13     0.01  -0.08   0.08
    26   1    -0.02   0.16  -0.07    -0.03   0.21   0.01     0.00  -0.04  -0.19
    27   1    -0.04   0.14  -0.07    -0.15   0.17  -0.09     0.20  -0.19   0.06
    28   1    -0.04  -0.06   0.01    -0.14  -0.23  -0.04     0.01   0.02  -0.19
    29   1    -0.06  -0.00  -0.02    -0.23  -0.17  -0.12     0.26   0.09   0.06
    30   1     0.15  -0.06   0.06     0.01   0.00  -0.18     0.19  -0.08  -0.06
    31   1     0.23   0.06  -0.08    -0.22  -0.07   0.05     0.20  -0.02  -0.09
    32   1    -0.11   0.20   0.01    -0.01   0.03  -0.20    -0.06   0.11  -0.00
    33   1    -0.02   0.30  -0.12    -0.06  -0.20   0.03     0.02   0.11  -0.05
    34   1     0.06   0.05  -0.16    -0.16  -0.13  -0.10    -0.13  -0.10   0.02
    35   1     0.09   0.29   0.08    -0.10  -0.10  -0.08    -0.05  -0.18  -0.07
    36   1    -0.05  -0.00  -0.18     0.13  -0.01  -0.04     0.24  -0.00  -0.03
    37   1    -0.21   0.18   0.07     0.05  -0.04  -0.04     0.24  -0.10  -0.11
                     19                     20                     21
                      A                      A                      A
 Frequencies --    462.0651               462.7682               505.7485
 Red. masses --      4.0278                 4.0376                 4.5179
 Frc consts  --      0.5067                 0.5094                 0.6809
 IR Inten    --      7.5279                 7.5500                 0.0010
 RamAct Fr= 1--      6.0352                 6.0406                50.9730
  Dep-P Fr= 1--      0.7500                 0.7500                 0.0021
  Dep-U Fr= 1--      0.8571                 0.8571                 0.0043
 Alpha2 Fr= 1--      0.0000                 0.0000                 1.1271
 Beta2  Fr= 1--      0.8622                 0.8629                 0.0362
 AlphaG Fr= 1--     -0.0000                 0.0000                -1.0500
 Gamma2 Fr= 1--      2.0154                 2.0290                -1.4423
 Delta2 Fr= 1--     -0.0580                -0.0672                 0.0975
 Raman1 Fr= 1--      24.141                 24.163                203.892
 ROA1   Fr= 1--     191.620                192.636               -135.342
 CID1   Fr= 1--       7.938                  7.973                 -0.664
 Raman2 Fr= 1--      10.346                 10.355                  0.434
 ROA2   Fr= 1--      48.833                 49.234                -35.396
 CID2   Fr= 1--       4.720                  4.754                -81.560
 Raman3 Fr= 1--      20.692                 20.711                  0.868
 ROA3   Fr= 1--     191.620                192.636               -135.342
 CID3   Fr= 1--       9.261                  9.301               -155.927
 RC180  Fr= 1--       0.714                  0.714                 -0.991
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.02   0.02    -0.03  -0.03   0.00     0.02   0.01   0.01
     2   6    -0.01   0.04   0.01     0.03  -0.01   0.01    -0.02   0.02  -0.01
     3   7    -0.05  -0.01  -0.09     0.16   0.08   0.18    -0.13  -0.06  -0.15
     4  45     0.03   0.01   0.00     0.01  -0.03   0.00     0.00  -0.00  -0.00
     5   7     0.08  -0.11   0.12    -0.09   0.08  -0.16     0.10  -0.11   0.15
     6   7    -0.05  -0.17  -0.20    -0.03  -0.05  -0.03     0.05   0.14   0.15
     7   6     0.03  -0.03  -0.01    -0.02  -0.01  -0.02    -0.02   0.01   0.01
     8   6     0.01   0.04   0.01     0.03   0.01  -0.02    -0.01  -0.02  -0.01
     9   7    -0.14   0.11   0.20     0.04  -0.01  -0.01     0.12  -0.08  -0.15
    10   7    -0.00   0.13  -0.11     0.02   0.13  -0.17     0.01   0.14  -0.15
    11   6     0.00   0.02  -0.02     0.04   0.00   0.00     0.02   0.01  -0.01
    12   6     0.02  -0.03  -0.01    -0.02  -0.03   0.01    -0.00  -0.03   0.01
    13   7    -0.03  -0.02   0.07    -0.18  -0.04   0.19    -0.14  -0.03   0.15
    14   1    -0.06  -0.10  -0.10     0.04   0.01   0.01     0.05   0.09   0.07
    15   1     0.04   0.06   0.03     0.03  -0.00  -0.04    -0.04  -0.04  -0.02
    16   1    -0.11   0.04   0.10    -0.04  -0.01   0.02     0.10  -0.05  -0.07
    17   1     0.07  -0.02  -0.03    -0.01  -0.02  -0.04    -0.07  -0.00   0.01
    18   1    -0.08   0.03   0.06    -0.09  -0.01   0.08    -0.11   0.00   0.07
    19   1     0.03   0.02  -0.04     0.07  -0.02  -0.01     0.06  -0.02  -0.02
    20   1     0.02   0.03  -0.03    -0.03   0.12  -0.10    -0.01   0.11  -0.07
    21   1     0.03  -0.04  -0.02     0.00  -0.06   0.04     0.04  -0.06   0.01
    22   1     0.04  -0.02   0.04    -0.04   0.11  -0.09     0.06  -0.09   0.07
    23   1    -0.00   0.06   0.02     0.03  -0.05   0.04    -0.01   0.06  -0.02
    24   1    -0.05  -0.08  -0.07     0.07   0.04   0.08    -0.09  -0.06  -0.07
    25   1     0.04   0.00   0.05    -0.04  -0.05  -0.01     0.03   0.06   0.01
    26   1     0.08  -0.16   0.19    -0.09   0.11  -0.25     0.10  -0.12   0.19
    27   1     0.01  -0.11   0.12     0.02   0.13  -0.16     0.01  -0.13   0.15
    28   1    -0.06  -0.01  -0.15     0.18   0.13   0.29    -0.14  -0.07  -0.19
    29   1    -0.00  -0.08  -0.09     0.05   0.14   0.17    -0.07  -0.12  -0.15
    30   1    -0.03  -0.03   0.12    -0.23  -0.00   0.30    -0.15  -0.03   0.20
    31   1    -0.04   0.05   0.08    -0.14   0.09   0.18    -0.12   0.06   0.15
    32   1    -0.03   0.16  -0.17     0.00   0.16  -0.27     0.00   0.15  -0.18
    33   1    -0.05   0.09  -0.10    -0.10   0.10  -0.17    -0.07   0.12  -0.15
    34   1    -0.09  -0.19  -0.32    -0.06  -0.06  -0.04     0.06   0.15   0.20
    35   1    -0.15  -0.07  -0.19    -0.02  -0.03  -0.02     0.11   0.08   0.15
    36   1    -0.20   0.10   0.32     0.07  -0.00  -0.01     0.13  -0.08  -0.18
    37   1    -0.17  -0.04   0.20     0.02  -0.02  -0.01     0.14  -0.00  -0.15
                     22                     23                     24
                      A                      A                      A
 Frequencies --    523.1981               558.3983               559.2010
 Red. masses --      1.5617                 1.8402                 1.8425
 Frc consts  --      0.2519                 0.3381                 0.3395
 IR Inten    --      3.2686                 3.4648                 3.3960
 RamAct Fr= 1--      0.0144                 0.3663                 0.3908
  Dep-P Fr= 1--      0.0099                 0.7474                 0.7390
  Dep-U Fr= 1--      0.0196                 0.8555                 0.8499
 Alpha2 Fr= 1--      0.0003                 0.0000                 0.0001
 Beta2  Fr= 1--      0.0000                 0.0522                 0.0554
 AlphaG Fr= 1--     -0.0002                -0.0000                -0.0000
 Gamma2 Fr= 1--     -0.0003                -0.6649                -0.6554
 Delta2 Fr= 1--      0.0000                -0.1532                -0.1551
 Raman1 Fr= 1--       0.058                  1.465                  1.563
 ROA1   Fr= 1--      -0.025                -68.734                -67.886
 CID1   Fr= 1--      -0.428                -46.911                -43.427
 Raman2 Fr= 1--       0.001                  0.627                  0.664
 ROA2   Fr= 1--      -0.007                -14.732                -14.489
 CID2   Fr= 1--     -11.603                -23.507                -21.811
 Raman3 Fr= 1--       0.001                  1.253                  1.329
 ROA3   Fr= 1--      -0.025                -68.734                -67.886
 CID3   Fr= 1--     -21.879                -54.837                -51.095
 RC180  Fr= 1--      -0.961                  0.711                  0.700
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.05  -0.05    -0.00  -0.01   0.02     0.02   0.06  -0.07
     2   6    -0.01  -0.05  -0.05    -0.00   0.03   0.02    -0.00  -0.06  -0.07
     3   7     0.04  -0.02   0.03    -0.03   0.00  -0.02     0.07  -0.00   0.07
     4  45     0.00   0.00  -0.00     0.00  -0.03  -0.00    -0.03  -0.00   0.00
     5   7     0.04   0.00   0.04    -0.02   0.01  -0.02     0.07  -0.03   0.08
     6   7    -0.02   0.03   0.03    -0.01   0.07   0.08     0.01  -0.02  -0.02
     7   6    -0.05  -0.02  -0.05    -0.06  -0.01  -0.07     0.02   0.00   0.01
     8   6     0.05   0.02  -0.05     0.06   0.03  -0.07    -0.01  -0.00   0.01
     9   7    -0.01   0.04   0.04    -0.03   0.06   0.08     0.01  -0.01  -0.01
    10   7    -0.03  -0.03   0.04     0.02   0.04  -0.05     0.03   0.05  -0.06
    11   6    -0.04   0.03  -0.05     0.03  -0.02   0.05     0.05  -0.03   0.05
    12   6     0.04  -0.03  -0.05    -0.03   0.04   0.05    -0.03   0.03   0.05
    13   7    -0.02  -0.04   0.03     0.04   0.03  -0.05     0.04   0.03  -0.06
    14   1     0.05  -0.13   0.07     0.05  -0.23   0.11    -0.01   0.05  -0.03
    15   1     0.19   0.00  -0.15     0.30   0.01  -0.23    -0.05   0.01   0.05
    16   1     0.04  -0.13   0.07     0.10  -0.21   0.11    -0.01   0.04  -0.02
    17   1    -0.15  -0.11  -0.15    -0.24  -0.18  -0.24     0.06   0.03   0.04
    18   1     0.09   0.11   0.07    -0.12  -0.11  -0.08    -0.13  -0.12  -0.08
    19   1    -0.10   0.16  -0.15     0.10  -0.17   0.16     0.13  -0.19   0.17
    20   1     0.10   0.10   0.07    -0.10  -0.13  -0.07    -0.10  -0.15  -0.09
    21   1     0.18  -0.08  -0.15    -0.19   0.09   0.16    -0.20   0.09   0.18
    22   1    -0.14   0.02   0.07     0.07  -0.02  -0.03    -0.22   0.07   0.11
    23   1    -0.09  -0.17  -0.14     0.04   0.09   0.07    -0.14  -0.25  -0.23
    24   1    -0.14   0.03   0.07     0.08  -0.00  -0.04    -0.23   0.02   0.11
    25   1    -0.02   0.19  -0.14     0.02  -0.09   0.08    -0.03   0.29  -0.23
    26   1     0.05  -0.04   0.22    -0.02   0.01  -0.09     0.09  -0.02   0.23
    27   1    -0.14   0.03   0.02     0.06   0.01  -0.02    -0.12  -0.05   0.07
    28   1     0.07   0.01   0.22    -0.03   0.01  -0.06     0.09  -0.01   0.23
    29   1    -0.14   0.03   0.02     0.01  -0.03  -0.02    -0.10   0.09   0.06
    30   1    -0.06  -0.03   0.22     0.04   0.05  -0.15     0.05   0.04  -0.19
    31   1     0.10   0.11   0.01    -0.01  -0.08  -0.05    -0.03  -0.11  -0.05
    32   1    -0.02  -0.07   0.23     0.03   0.05  -0.17     0.05   0.05  -0.17
    33   1     0.10   0.11   0.02    -0.10  -0.04  -0.04    -0.09  -0.02  -0.05
    34   1     0.01   0.07   0.22    -0.02   0.09   0.24     0.01  -0.02  -0.04
    35   1     0.05  -0.14   0.02     0.11  -0.09   0.07    -0.02  -0.00  -0.02
    36   1    -0.05   0.05   0.22    -0.03   0.09   0.23     0.01  -0.01  -0.06
    37   1     0.04  -0.14   0.02    -0.03  -0.13   0.07    -0.00   0.05  -0.01
                     25                     26                     27
                      A                      A                      A
 Frequencies --    676.1695               676.4235               713.9514
 Red. masses --      1.2961                 1.2962                 1.2647
 Frc consts  --      0.3491                 0.3494                 0.3798
 IR Inten    --      0.1365                 0.1366                 0.0008
 RamAct Fr= 1--      0.1017                 0.1001                 2.8028
  Dep-P Fr= 1--      0.7476                 0.7491                 0.1156
  Dep-U Fr= 1--      0.8556                 0.8566                 0.2073
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0472
 Beta2  Fr= 1--      0.0145                 0.0143                 0.0968
 AlphaG Fr= 1--      0.0000                 0.0000                 0.3294
 Gamma2 Fr= 1--     -0.2144                -0.2017                -3.0897
 Delta2 Fr= 1--      0.0754                 0.0741                -0.1678
 Raman1 Fr= 1--       0.407                  0.401                 11.211
 ROA1   Fr= 1--     -18.169                -16.995               -301.984
 CID1   Fr= 1--     -44.664                -42.426                -26.936
 Raman2 Fr= 1--       0.174                  0.172                  1.162
 ROA2   Fr= 1--      -5.749                 -5.434                -72.812
 CID2   Fr= 1--     -33.034                -31.673                -62.670
 Raman3 Fr= 1--       0.348                  0.343                  2.324
 ROA3   Fr= 1--     -18.169                -16.995               -301.984
 CID3   Fr= 1--     -52.202                -49.530               -129.961
 RC180  Fr= 1--       0.711                  0.713                 -0.585
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.02    -0.00  -0.01  -0.00     0.00  -0.01  -0.01
     2   6    -0.00  -0.01  -0.01    -0.00  -0.01   0.02    -0.00  -0.00   0.01
     3   7    -0.03  -0.01   0.05    -0.03   0.01   0.05    -0.04   0.00   0.05
     4  45     0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     5   7     0.00   0.01   0.00     0.04  -0.02  -0.07     0.03  -0.01  -0.04
     6   7     0.00   0.04  -0.06     0.01  -0.02   0.03    -0.00   0.03  -0.04
     7   6     0.01   0.01   0.01    -0.01  -0.00   0.02     0.00   0.01  -0.01
     8   6     0.00   0.00   0.02    -0.01  -0.00   0.00     0.00  -0.00   0.01
     9   7    -0.00  -0.01   0.02    -0.03   0.04  -0.07     0.02  -0.03   0.04
    10   7    -0.02  -0.04  -0.07    -0.00   0.02   0.02     0.02   0.03   0.04
    11   6     0.01  -0.01  -0.01    -0.00   0.01  -0.02     0.00   0.01   0.01
    12   6     0.01  -0.01   0.01     0.01  -0.00  -0.02    -0.01   0.00  -0.01
    13   7     0.03   0.03   0.06     0.03   0.01   0.04    -0.03  -0.02  -0.05
    14   1    -0.01   0.03  -0.04    -0.01  -0.07   0.05     0.00   0.06  -0.04
    15   1    -0.06   0.00   0.05     0.08   0.02  -0.00    -0.08  -0.02   0.03
    16   1     0.05  -0.03   0.04    -0.02   0.04  -0.05     0.04  -0.05   0.04
    17   1    -0.06  -0.02   0.01     0.06   0.04   0.05    -0.08  -0.03  -0.03
    18   1     0.07   0.03   0.06    -0.01   0.01   0.01    -0.06  -0.03  -0.04
    19   1    -0.06   0.07  -0.03     0.00   0.02  -0.04     0.06  -0.07   0.03
    20   1    -0.02  -0.06  -0.06     0.01  -0.03  -0.01     0.02   0.06   0.04
    21   1    -0.08   0.05   0.03    -0.01   0.02  -0.03     0.07  -0.05  -0.02
    22   1     0.02  -0.03  -0.03     0.05  -0.03  -0.05     0.05  -0.04  -0.04
    23   1     0.00   0.04  -0.02     0.03   0.08   0.04     0.02   0.09   0.03
    24   1    -0.02   0.01   0.02    -0.07  -0.02   0.06    -0.06  -0.01   0.04
    25   1    -0.01   0.03  -0.05     0.01   0.09  -0.02     0.01   0.09  -0.03
    26   1     0.00   0.02  -0.02     0.07  -0.12   0.34     0.06  -0.06   0.25
    27   1     0.00  -0.04   0.01    -0.29   0.25  -0.13    -0.23   0.15  -0.09
    28   1    -0.08  -0.07  -0.25    -0.08  -0.05  -0.24    -0.08  -0.03  -0.25
    29   1     0.26   0.11   0.10     0.25   0.07   0.09     0.27   0.05   0.09
    30   1     0.11   0.01  -0.29     0.08  -0.01  -0.19    -0.08  -0.02   0.25
    31   1    -0.29  -0.11   0.11    -0.22  -0.05   0.08     0.24   0.12  -0.09
    32   1     0.01  -0.13   0.33    -0.01   0.04  -0.09     0.01   0.08  -0.25
    33   1     0.08   0.36  -0.13     0.01  -0.11   0.04    -0.09  -0.25   0.09
    34   1     0.06   0.11   0.31    -0.02  -0.05  -0.16     0.02   0.08   0.24
    35   1    -0.08  -0.34  -0.12     0.01   0.17   0.06    -0.02  -0.26  -0.09
    36   1     0.02  -0.02  -0.09    -0.12   0.05   0.34     0.07  -0.05  -0.24
    37   1    -0.05   0.08   0.03     0.29  -0.24  -0.13    -0.18   0.20   0.09
                     28                     29                     30
                      A                      A                      A
 Frequencies --    750.4186               750.5760               762.8613
 Red. masses --      1.3993                 1.4003                 1.4761
 Frc consts  --      0.4643                 0.4648                 0.5061
 IR Inten    --      5.4075                 5.3568                17.8416
 RamAct Fr= 1--      0.6485                 0.6456                 0.0005
  Dep-P Fr= 1--      0.7500                 0.7497                 0.6733
  Dep-U Fr= 1--      0.8571                 0.8570                 0.8048
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.0926                 0.0922                 0.0001
 AlphaG Fr= 1--      0.0000                 0.0000                -0.0000
 Gamma2 Fr= 1--      2.8671                 2.8559                 0.0021
 Delta2 Fr= 1--      0.0116                 0.0119                -0.0001
 Raman1 Fr= 1--       2.594                  2.582                  0.002
 ROA1   Fr= 1--     275.610                274.545                  0.198
 CID1   Fr= 1--     106.253                106.321                107.999
 Raman2 Fr= 1--       1.112                  1.106                  0.001
 ROA2   Fr= 1--      68.718                 68.446                  0.051
 CID2   Fr= 1--      61.816                 61.861                 68.423
 Raman3 Fr= 1--       2.223                  2.213                  0.001
 ROA3   Fr= 1--     275.610                274.545                  0.198
 CID3   Fr= 1--     123.965                124.067                134.202
 RC180  Fr= 1--       0.714                  0.714                  0.610
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.02  -0.02     0.01  -0.00  -0.02    -0.03  -0.01   0.02
     2   6     0.01  -0.01  -0.03    -0.00  -0.02  -0.01    -0.02   0.02   0.02
     3   7    -0.02  -0.01   0.04    -0.05  -0.01   0.05     0.03  -0.01  -0.06
     4  45     0.01  -0.01   0.00     0.01   0.01  -0.00    -0.00   0.00   0.02
     5   7    -0.04   0.04   0.07     0.00   0.01   0.01     0.03  -0.00  -0.06
     6   7     0.01   0.03  -0.04    -0.00  -0.05   0.06    -0.02   0.03  -0.06
     7   6     0.01  -0.00   0.03    -0.02  -0.01  -0.01     0.02  -0.02   0.02
     8   6    -0.02  -0.01   0.02    -0.00   0.01  -0.02    -0.01  -0.03   0.02
     9   7    -0.04   0.04  -0.07     0.01   0.01   0.01    -0.00   0.03  -0.05
    10   7     0.01   0.03   0.02    -0.01  -0.05  -0.06    -0.02  -0.02  -0.06
    11   6    -0.01   0.01   0.01     0.02  -0.01   0.03     0.03   0.01   0.02
    12   6    -0.01   0.01  -0.00    -0.01   0.02   0.03     0.00   0.03   0.02
    13   7    -0.02  -0.02  -0.03    -0.05  -0.01  -0.06    -0.02  -0.03  -0.06
    14   1    -0.04  -0.03  -0.01     0.01  -0.04   0.05    -0.02   0.05  -0.08
    15   1     0.01   0.04   0.10     0.06  -0.01  -0.08    -0.07   0.02   0.14
    16   1     0.01   0.03  -0.05    -0.06   0.02  -0.02    -0.02   0.05  -0.08
    17   1     0.02   0.05   0.12     0.05   0.00  -0.04     0.04   0.06   0.14
    18   1    -0.05  -0.02  -0.04     0.03  -0.03  -0.03    -0.03  -0.04  -0.07
    19   1     0.04  -0.05   0.02    -0.02  -0.03   0.12     0.01  -0.07   0.15
    20   1     0.01   0.05   0.04    -0.03   0.02  -0.03    -0.04  -0.04  -0.08
    21   1     0.05  -0.03  -0.02    -0.03  -0.02   0.12    -0.07   0.01   0.15
    22   1    -0.03  -0.02   0.05     0.03  -0.05  -0.02     0.06  -0.01  -0.08
    23   1    -0.04  -0.03  -0.11    -0.00   0.05  -0.05     0.06   0.05   0.15
    24   1     0.03   0.04   0.01    -0.04   0.00   0.05     0.05  -0.01  -0.08
    25   1    -0.03  -0.02  -0.09    -0.02   0.06  -0.08     0.03  -0.06   0.15
    26   1    -0.08   0.11  -0.32     0.01   0.03  -0.02     0.04  -0.11   0.22
    27   1     0.27  -0.26   0.14     0.02  -0.05   0.02    -0.18   0.18  -0.10
    28   1    -0.06  -0.06  -0.16    -0.10  -0.05  -0.27     0.08   0.09   0.21
    29   1     0.20   0.10   0.08     0.30   0.11   0.11    -0.22  -0.10  -0.10
    30   1    -0.05  -0.03   0.16    -0.12   0.00   0.28    -0.11   0.02   0.21
    31   1     0.15   0.06  -0.06     0.34   0.08  -0.13     0.23   0.06  -0.10
    32   1     0.02   0.05  -0.15     0.02  -0.13   0.29     0.03  -0.11   0.22
    33   1    -0.04  -0.15   0.05     0.04   0.36  -0.13     0.03   0.25  -0.10
    34   1     0.06   0.07   0.18    -0.03  -0.10  -0.28     0.07   0.08   0.21
    35   1    -0.08  -0.22  -0.09     0.07   0.31   0.12    -0.06  -0.22  -0.10
    36   1    -0.12   0.06   0.33     0.03   0.01  -0.01    -0.11   0.02   0.20
    37   1     0.31  -0.24  -0.14    -0.04   0.00   0.02     0.18  -0.14  -0.10
                     31                     32                     33
                      A                      A                      A
 Frequencies --    865.5689               865.6170               867.4004
 Red. masses --      3.2256                 3.2250                 3.1378
 Frc consts  --      1.4239                 1.4237                 1.3910
 IR Inten    --     10.9253                10.9127                 0.0045
 RamAct Fr= 1--      0.7771                 0.8011                 7.9292
  Dep-P Fr= 1--      0.7479                 0.7493                 0.1015
  Dep-U Fr= 1--      0.8558                 0.8567                 0.1843
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.1383
 Beta2  Fr= 1--      0.1108                 0.1144                 0.2436
 AlphaG Fr= 1--     -0.0000                -0.0000                -0.0331
 Gamma2 Fr= 1--      0.9526                 0.9244                -2.1280
 Delta2 Fr= 1--      0.9239                 0.9197                -3.2033
 Raman1 Fr= 1--       3.108                  3.205                 31.717
 ROA1   Fr= 1--     121.013                118.174               -306.797
 CID1   Fr= 1--      38.933                 36.877                 -9.673
 Raman2 Fr= 1--       1.330                  1.373                  2.923
 ROA2   Fr= 1--      15.471                 14.829                -25.446
 CID2   Fr= 1--      11.633                 10.803                 -8.705
 Raman3 Fr= 1--       2.660                  2.745                  5.846
 ROA3   Fr= 1--     121.013                118.174               -306.797
 CID3   Fr= 1--      45.493                 43.044                -52.475
 RC180  Fr= 1--       0.712                  0.713                 -0.631
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.06   0.05     0.04   0.13  -0.12    -0.03  -0.11   0.09
     2   6    -0.02  -0.06  -0.06     0.00   0.15   0.11    -0.01  -0.11  -0.09
     3   7    -0.01   0.04  -0.01     0.04  -0.12   0.06    -0.03   0.09  -0.03
     4  45     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     5   7     0.05   0.06   0.04    -0.07  -0.09  -0.05     0.06   0.07   0.03
     6   7    -0.06   0.01   0.02    -0.12   0.02   0.06    -0.10   0.02   0.04
     7   6     0.08   0.02   0.08     0.13   0.01   0.10     0.11   0.02   0.09
     8   6     0.08   0.05  -0.06     0.12   0.05  -0.11     0.10   0.05  -0.09
     9   7    -0.06  -0.06  -0.04    -0.07  -0.07  -0.04    -0.07  -0.07  -0.03
    10   7    -0.13   0.03   0.06     0.03  -0.00  -0.01     0.09  -0.02  -0.03
    11   6     0.13  -0.09   0.13    -0.02  -0.00   0.00    -0.09   0.06  -0.09
    12   6     0.10  -0.13  -0.13    -0.01  -0.01   0.02    -0.07   0.08   0.08
    13   7    -0.05   0.13  -0.06     0.00   0.01  -0.01     0.04  -0.09   0.04
    14   1     0.03   0.03  -0.18     0.04   0.07  -0.36     0.04   0.07  -0.30
    15   1    -0.00   0.03  -0.05    -0.05   0.04  -0.03    -0.05   0.03  -0.03
    16   1     0.05  -0.02   0.25     0.06  -0.01   0.29     0.07  -0.03   0.28
    17   1    -0.01  -0.05   0.01     0.02  -0.04   0.07    -0.01  -0.05   0.04
    18   1     0.09  -0.01   0.41     0.01   0.01   0.02    -0.08   0.00  -0.29
    19   1     0.03   0.07   0.05    -0.02   0.02  -0.03    -0.00  -0.06  -0.03
    20   1     0.03  -0.08  -0.38     0.01   0.02   0.07    -0.01   0.07   0.27
    21   1    -0.05  -0.04  -0.07     0.03  -0.01  -0.02     0.05   0.02   0.04
    22   1     0.03  -0.04  -0.21    -0.02   0.07   0.33     0.04  -0.07  -0.28
    23   1     0.04   0.02   0.00    -0.06   0.01   0.06     0.05   0.02  -0.04
    24   1    -0.01  -0.03   0.12     0.06   0.06  -0.37    -0.06  -0.05   0.29
    25   1    -0.03  -0.01   0.05     0.05  -0.04  -0.04    -0.04   0.04   0.03
    26   1     0.04   0.04  -0.01    -0.06  -0.09   0.02     0.06   0.08   0.01
    27   1     0.10   0.08   0.04    -0.16  -0.19  -0.04     0.11   0.15   0.03
    28   1    -0.00   0.05   0.00     0.03  -0.11  -0.02    -0.02   0.09  -0.01
    29   1    -0.02   0.11  -0.01     0.10  -0.24   0.06    -0.05   0.18  -0.03
    30   1    -0.05   0.11   0.02     0.01  -0.00   0.00     0.04  -0.09   0.01
    31   1    -0.08   0.27  -0.06     0.02  -0.00  -0.01     0.07  -0.17   0.03
    32   1    -0.11   0.04  -0.02     0.01   0.00   0.01     0.09  -0.03  -0.01
    33   1    -0.28   0.05   0.05     0.03   0.02  -0.02     0.17  -0.05  -0.03
    34   1    -0.06   0.00  -0.01    -0.10   0.01  -0.02    -0.10   0.01   0.01
    35   1    -0.15   0.02   0.02    -0.23   0.07   0.06    -0.19   0.03   0.03
    36   1    -0.05  -0.05   0.02    -0.08  -0.06   0.02    -0.07  -0.07  -0.01
    37   1    -0.09  -0.14  -0.04    -0.15  -0.16  -0.04    -0.14  -0.13  -0.03
                     34                     35                     36
                      A                      A                      A
 Frequencies --    870.7715               872.6946               872.8134
 Red. masses --      2.6872                 2.4828                 2.4837
 Frc consts  --      1.2005                 1.1141                 1.1148
 IR Inten    --      5.7806                 0.1139                 0.1372
 RamAct Fr= 1--      0.0181                 2.8194                 2.8357
  Dep-P Fr= 1--      0.5948                 0.7498                 0.7491
  Dep-U Fr= 1--      0.7459                 0.8570                 0.8566
 Alpha2 Fr= 1--      0.0001                 0.0000                 0.0000
 Beta2  Fr= 1--      0.0023                 0.4027                 0.4048
 AlphaG Fr= 1--      0.0000                -0.0000                -0.0000
 Gamma2 Fr= 1--     -0.0073                -1.0319                -1.0315
 Delta2 Fr= 1--     -0.0041                -0.5573                -0.5549
 Raman1 Fr= 1--       0.072                 11.278                 11.343
 ROA1   Fr= 1--      -0.832               -116.900               -116.775
 CID1   Fr= 1--     -11.489                -10.366                -10.295
 Raman2 Fr= 1--       0.027                  4.833                  4.858
 ROA2   Fr= 1--      -0.143                -20.308                -20.316
 CID2   Fr= 1--      -5.292                 -4.202                 -4.182
 Raman3 Fr= 1--       0.054                  9.665                  9.716
 ROA3   Fr= 1--      -0.832               -116.900               -116.775
 CID3   Fr= 1--     -15.403                -12.095                -12.019
 RC180  Fr= 1--       0.492                  0.714                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.07  -0.01   0.05    -0.03  -0.01  -0.00     0.12  -0.02   0.07
     2   6     0.07  -0.02   0.05    -0.03  -0.01  -0.03     0.11  -0.03   0.06
     3   7    -0.03   0.08  -0.06     0.01  -0.02   0.01    -0.07   0.13  -0.06
     4  45    -0.00   0.00   0.01    -0.00  -0.01   0.00     0.01  -0.00   0.00
     5   7    -0.06  -0.06  -0.06     0.04   0.03   0.01    -0.11  -0.08  -0.06
     6   7     0.10  -0.03  -0.07    -0.08   0.03   0.04    -0.09   0.04   0.03
     7   6    -0.03   0.08   0.06     0.02  -0.08  -0.05     0.04  -0.07  -0.04
     8   6    -0.02   0.09   0.06     0.01  -0.08  -0.03     0.03  -0.07  -0.05
     9   7    -0.07  -0.08  -0.07     0.05   0.09   0.04     0.04   0.07   0.04
    10   7     0.10  -0.02  -0.06     0.14  -0.00  -0.06    -0.04  -0.00   0.01
    11   6    -0.06  -0.06   0.05    -0.08  -0.08   0.06     0.03   0.00   0.00
    12   6    -0.05  -0.06   0.06    -0.07  -0.09   0.06     0.03   0.01  -0.02
    13   7    -0.03   0.09  -0.06    -0.02   0.14  -0.05     0.00  -0.01   0.01
    14   1    -0.00  -0.11   0.27    -0.01   0.08  -0.22     0.00   0.10  -0.28
    15   1     0.16   0.02  -0.15    -0.12   0.00   0.18    -0.15  -0.00   0.18
    16   1     0.07  -0.08   0.29    -0.07   0.08  -0.30    -0.04   0.06  -0.22
    17   1    -0.14  -0.08  -0.15     0.12   0.09   0.18     0.09   0.07   0.18
    18   1     0.08   0.04   0.25     0.11   0.07   0.37     0.00  -0.01  -0.02
    19   1    -0.09   0.11  -0.14    -0.10   0.17  -0.25     0.00  -0.01   0.06
    20   1     0.03   0.10   0.27     0.05   0.12   0.36    -0.01  -0.05  -0.13
    21   1     0.13  -0.08  -0.14     0.17  -0.07  -0.25    -0.06   0.03   0.05
    22   1    -0.07   0.05   0.23     0.04  -0.03  -0.15    -0.11   0.06   0.36
    23   1    -0.05  -0.13  -0.12     0.03   0.07   0.06    -0.10  -0.17  -0.26
    24   1    -0.09  -0.02   0.23     0.01  -0.01  -0.04    -0.14  -0.02   0.39
    25   1     0.00   0.13  -0.12     0.01  -0.02   0.07    -0.02   0.20  -0.26
    26   1    -0.03  -0.00   0.03     0.04   0.01   0.04    -0.07   0.04  -0.08
    27   1    -0.12   0.04  -0.08     0.02   0.03   0.01    -0.07   0.00  -0.07
    28   1    -0.02   0.01   0.03     0.01   0.03   0.01    -0.09   0.00  -0.09
    29   1    -0.13   0.01  -0.08     0.02   0.02   0.02    -0.06   0.03  -0.07
    30   1     0.02   0.02   0.02     0.07   0.05  -0.09    -0.02   0.02   0.01
    31   1     0.10   0.08  -0.09     0.03   0.06  -0.06    -0.02   0.01   0.01
    32   1     0.03   0.02   0.02     0.04   0.07  -0.09    -0.04  -0.01   0.04
    33   1     0.08   0.11  -0.09     0.05   0.04  -0.07    -0.03   0.02   0.01
    34   1     0.01  -0.03   0.01     0.02   0.06   0.05    -0.02   0.06   0.08
    35   1     0.02  -0.13  -0.09    -0.01   0.04   0.05    -0.03   0.02   0.04
    36   1     0.01  -0.04   0.02    -0.02   0.07   0.07    -0.04   0.04   0.06
    37   1     0.06  -0.13  -0.09     0.02   0.05   0.04    -0.01   0.04   0.04
                     37                     38                     39
                      A                      A                      A
 Frequencies --    982.2636               983.2499               983.4669
 Red. masses --      2.1967                 2.2058                 2.2003
 Frc consts  --      1.2488                 1.2565                 1.2539
 IR Inten    --      3.4569                 3.4396                 3.7059
 RamAct Fr= 1--      0.0445                 5.3677                 5.4160
  Dep-P Fr= 1--      0.7497                 0.7500                 0.7500
  Dep-U Fr= 1--      0.8569                 0.8571                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.0064                 0.7668                 0.7737
 AlphaG Fr= 1--     -0.0000                -0.0000                -0.0000
 Gamma2 Fr= 1--     -0.0019                -0.5240                -0.4978
 Delta2 Fr= 1--      0.0093                 1.0773                 1.0795
 Raman1 Fr= 1--       0.178                 21.471                 21.664
 ROA1   Fr= 1--       0.117                -15.827                -13.249
 CID1   Fr= 1--       0.654                 -0.737                 -0.612
 Raman2 Fr= 1--       0.076                  9.202                  9.285
 ROA2   Fr= 1--      -0.119                -21.194                -20.584
 CID2   Fr= 1--      -1.566                 -2.303                 -2.217
 Raman3 Fr= 1--       0.153                 18.403                 18.569
 ROA3   Fr= 1--       0.117                -15.827                -13.249
 CID3   Fr= 1--       0.764                 -0.860                 -0.714
 RC180  Fr= 1--       0.714                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.10   0.00     0.02   0.10   0.01    -0.04  -0.14   0.00
     2   6     0.02   0.11   0.00    -0.01  -0.10  -0.01     0.03   0.15  -0.00
     3   7     0.00  -0.05  -0.00    -0.00   0.05  -0.00     0.00  -0.07   0.00
     4  45    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     5   7     0.02   0.04  -0.00    -0.02  -0.04  -0.00     0.03   0.06   0.00
     6   7    -0.06  -0.00   0.00    -0.08  -0.01   0.00    -0.00  -0.00   0.00
     7   6     0.13   0.04   0.00     0.15   0.05  -0.00     0.01   0.01  -0.01
     8   6    -0.12  -0.05   0.00    -0.15  -0.06   0.00    -0.00  -0.01   0.01
     9   7     0.05   0.03   0.00     0.06   0.04   0.00     0.00   0.00   0.00
    10   7    -0.05   0.02  -0.00     0.04  -0.02  -0.00     0.06  -0.03  -0.00
    11   6     0.09  -0.08   0.00    -0.07   0.06   0.01    -0.11   0.09  -0.00
    12   6    -0.09   0.08   0.00     0.06  -0.06  -0.01     0.11  -0.09   0.00
    13   7     0.03  -0.04  -0.00    -0.03   0.04  -0.00    -0.04   0.06  -0.00
    14   1    -0.15  -0.24   0.09    -0.17  -0.29   0.10    -0.00   0.01  -0.01
    15   1     0.10  -0.07  -0.16     0.11  -0.09  -0.20    -0.03  -0.02   0.00
    16   1     0.27  -0.11   0.09     0.32  -0.12   0.11     0.04  -0.03   0.02
    17   1    -0.04  -0.12  -0.16    -0.04  -0.14  -0.21    -0.04  -0.02  -0.03
    18   1     0.26  -0.00   0.08    -0.21  -0.00  -0.07    -0.29   0.01  -0.08
    19   1     0.01   0.11  -0.14     0.01  -0.10   0.13    -0.04  -0.12   0.17
    20   1    -0.04   0.26   0.09     0.03  -0.17  -0.05     0.04  -0.32  -0.10
    21   1     0.11   0.02  -0.15    -0.06  -0.04   0.10    -0.15  -0.02   0.19
    22   1    -0.12   0.20   0.08     0.08  -0.17  -0.05    -0.16   0.29   0.10
    23   1    -0.09  -0.05  -0.13     0.08   0.00   0.11    -0.13  -0.07  -0.20
    24   1    -0.18  -0.14   0.07     0.19   0.14  -0.08    -0.23  -0.19   0.09
    25   1    -0.07   0.07  -0.13     0.06  -0.10   0.14    -0.10   0.08  -0.18
    26   1     0.04   0.09  -0.01    -0.04  -0.13   0.02     0.04   0.11  -0.04
    27   1     0.05   0.14  -0.01    -0.04  -0.09   0.00     0.10   0.19  -0.01
    28   1    -0.00  -0.11  -0.01     0.00   0.06   0.02    -0.01  -0.17  -0.04
    29   1    -0.01  -0.14  -0.01    -0.01   0.16   0.01     0.01  -0.18  -0.01
    30   1     0.08  -0.10  -0.01    -0.03   0.04   0.02    -0.11   0.13   0.04
    31   1     0.10  -0.12  -0.01    -0.08   0.12   0.01    -0.09   0.14   0.01
    32   1    -0.10   0.06  -0.01     0.10  -0.07   0.02     0.09  -0.06   0.04
    33   1    -0.14   0.09  -0.01     0.08  -0.04   0.00     0.19  -0.09   0.01
    34   1    -0.13  -0.02  -0.02    -0.16  -0.03  -0.04    -0.06  -0.01  -0.00
    35   1    -0.17  -0.03  -0.01    -0.21  -0.01  -0.01     0.02  -0.00   0.00
    36   1     0.11   0.06  -0.01     0.13   0.07  -0.04    -0.04  -0.02  -0.00
    37   1     0.16   0.08  -0.01     0.18   0.12  -0.01     0.04   0.03  -0.00
                     40                     41                     42
                      A                      A                      A
 Frequencies --    996.8252               997.2795              1009.6920
 Red. masses --      1.2460                 1.2452                 1.2697
 Frc consts  --      0.7295                 0.7297                 0.7626
 IR Inten    --      9.0990                 9.4826                 0.0002
 RamAct Fr= 1--      0.1379                 0.1334                 1.4276
  Dep-P Fr= 1--      0.7496                 0.7499                 0.1055
  Dep-U Fr= 1--      0.8569                 0.8571                 0.1908
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0247
 Beta2  Fr= 1--      0.0197                 0.0191                 0.0454
 AlphaG Fr= 1--     -0.0000                 0.0000                -0.2519
 Gamma2 Fr= 1--      0.7230                 0.7556                -1.2223
 Delta2 Fr= 1--      0.1960                 0.1854                 0.3150
 Raman1 Fr= 1--       0.551                  0.534                  5.711
 ROA1   Fr= 1--      75.680                 78.472               -107.261
 CID1   Fr= 1--     137.238                147.058                -18.783
 Raman2 Fr= 1--       0.236                  0.229                  0.545
 ROA2   Fr= 1--      15.785                 16.651                -31.855
 CID2   Fr= 1--      66.808                 72.817                -58.457
 Raman3 Fr= 1--       0.473                  0.457                  1.090
 ROA3   Fr= 1--      75.680                 78.472               -107.261
 CID3   Fr= 1--     160.159                171.583                -98.418
 RC180  Fr= 1--       0.714                  0.714                 -0.618
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04  -0.03  -0.02     0.05  -0.02  -0.03     0.05  -0.02  -0.03
     2   6    -0.04   0.01   0.02    -0.06  -0.01   0.03    -0.05  -0.00   0.03
     3   7     0.01  -0.00  -0.01     0.01  -0.00   0.00     0.02  -0.00  -0.00
     4  45    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     5   7    -0.01   0.00  -0.00    -0.01  -0.00   0.00    -0.02   0.00   0.00
     6   7    -0.01   0.02  -0.00     0.00  -0.00  -0.00     0.01  -0.01   0.00
     7   6     0.01  -0.07   0.04     0.01   0.02  -0.00    -0.00   0.05  -0.03
     8   6    -0.05   0.06  -0.03    -0.00  -0.01   0.01     0.03  -0.04   0.03
     9   7     0.00  -0.02   0.00    -0.00   0.00  -0.01    -0.00   0.02  -0.00
    10   7    -0.00  -0.00   0.00     0.01   0.01   0.00    -0.01  -0.01  -0.00
    11   6     0.00   0.03   0.01    -0.03  -0.06  -0.03     0.02   0.05   0.03
    12   6    -0.01  -0.02  -0.01     0.06   0.04   0.03    -0.04  -0.03  -0.03
    13   7     0.00   0.01   0.01    -0.01  -0.01   0.00     0.01   0.01   0.00
    14   1    -0.05  -0.20   0.15    -0.01   0.00  -0.01     0.03   0.14  -0.10
    15   1     0.27   0.11  -0.11    -0.03  -0.02   0.01    -0.18  -0.08   0.08
    16   1    -0.14   0.12  -0.14     0.06  -0.04   0.04     0.11  -0.09   0.10
    17   1     0.28   0.07   0.10    -0.06  -0.02  -0.03    -0.19  -0.05  -0.08
    18   1    -0.10  -0.02  -0.06     0.17   0.05   0.14    -0.14  -0.04  -0.10
    19   1     0.08  -0.07   0.05    -0.22   0.17  -0.10     0.16  -0.12   0.08
    20   1     0.01   0.03   0.03    -0.03  -0.19  -0.14     0.02   0.14   0.10
    21   1     0.06  -0.07  -0.03    -0.20   0.20   0.10     0.14  -0.15  -0.08
    22   1     0.07  -0.06  -0.08     0.12  -0.13  -0.12     0.10  -0.10  -0.10
    23   1     0.02   0.18   0.06     0.03   0.23   0.09     0.02   0.20   0.08
    24   1    -0.14  -0.06   0.11    -0.12  -0.04   0.10    -0.13  -0.05   0.10
    25   1     0.05   0.19  -0.08     0.06   0.21  -0.08     0.06   0.20  -0.08
    26   1     0.06   0.22  -0.02     0.05   0.23  -0.03     0.05   0.23  -0.04
    27   1    -0.08  -0.11   0.01    -0.07  -0.17   0.03    -0.06  -0.16   0.02
    28   1     0.03   0.19   0.02     0.04   0.26   0.02     0.04   0.23   0.04
    29   1    -0.01  -0.16  -0.02     0.03  -0.16  -0.01    -0.01  -0.17  -0.02
    30   1     0.07  -0.06  -0.01    -0.23   0.22   0.03     0.17  -0.16  -0.04
    31   1    -0.07   0.06   0.02     0.11  -0.18  -0.02    -0.11   0.13   0.02
    32   1     0.10  -0.08   0.01    -0.24   0.19  -0.03     0.18  -0.15   0.04
    33   1    -0.07   0.01   0.00     0.19  -0.10   0.03    -0.14   0.09  -0.02
    34   1     0.31   0.09   0.03    -0.08  -0.02  -0.00    -0.22  -0.07  -0.04
    35   1    -0.23  -0.02  -0.03     0.03  -0.02  -0.01     0.17   0.03   0.02
    36   1     0.31   0.12  -0.03    -0.03  -0.01   0.01    -0.21  -0.08   0.04
    37   1    -0.18  -0.13   0.02     0.06   0.01  -0.01     0.15   0.08  -0.02
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1047.5131              1047.6047              1050.7942
 Red. masses --      3.1933                 3.1927                 3.1353
 Frc consts  --      2.0645                 2.0645                 2.0397
 IR Inten    --     68.9239                68.6282                 0.0195
 RamAct Fr= 1--      0.7696                 0.7727                 2.3888
  Dep-P Fr= 1--      0.7493                 0.7499                 0.2391
  Dep-U Fr= 1--      0.8567                 0.8571                 0.3859
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0292
 Beta2  Fr= 1--      0.1099                 0.1104                 0.1537
 AlphaG Fr= 1--     -0.0000                -0.0000                -0.1073
 Gamma2 Fr= 1--      2.0819                 2.0974                 1.0508
 Delta2 Fr= 1--      1.0428                 1.0494                 1.3450
 Raman1 Fr= 1--       3.078                  3.091                  9.555
 ROA1   Fr= 1--     233.237                234.931                143.918
 CID1   Fr= 1--      75.768                 76.008                 15.062
 Raman2 Fr= 1--       1.319                  1.325                  1.844
 ROA2   Fr= 1--      41.624                 41.943                 14.459
 CID2   Fr= 1--      31.566                 31.664                  7.842
 Raman3 Fr= 1--       2.637                  2.649                  3.688
 ROA3   Fr= 1--     233.237                234.931                143.918
 CID3   Fr= 1--      88.440                 88.680                 39.027
 RC180  Fr= 1--       0.713                  0.714                 -0.228
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04   0.03   0.06     0.10   0.06   0.17     0.08   0.05   0.13
     2   6    -0.03   0.03  -0.06    -0.07   0.09  -0.17    -0.05   0.07  -0.13
     3   7     0.01  -0.04   0.01     0.03  -0.11   0.01     0.03  -0.08   0.01
     4  45     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     5   7    -0.03  -0.04  -0.00    -0.07  -0.09  -0.01    -0.06  -0.07  -0.01
     6   7    -0.12   0.02   0.01    -0.02   0.00   0.00     0.08  -0.01  -0.01
     7   6     0.11  -0.06  -0.18     0.01  -0.01  -0.03    -0.07   0.04   0.12
     8   6     0.05   0.11   0.18     0.01   0.02   0.03    -0.03  -0.08  -0.12
     9   7    -0.09  -0.09  -0.01    -0.01  -0.02  -0.00     0.06   0.06   0.01
    10   7    -0.08   0.02   0.01     0.09  -0.03  -0.01    -0.09   0.02   0.01
    11   6     0.08   0.01  -0.11    -0.09  -0.01   0.14     0.09   0.01  -0.13
    12   6     0.00  -0.07   0.11    -0.01   0.10  -0.14     0.00  -0.09   0.13
    13   7    -0.03   0.07  -0.01     0.04  -0.09   0.01    -0.03   0.08  -0.01
    14   1     0.11   0.10   0.35     0.02   0.03   0.06    -0.08  -0.08  -0.26
    15   1     0.13   0.15   0.22     0.01   0.02   0.02    -0.09  -0.10  -0.15
    16   1     0.15  -0.02  -0.35     0.01   0.00  -0.05    -0.11   0.01   0.26
    17   1     0.19  -0.04  -0.22     0.04  -0.01  -0.04    -0.14   0.03   0.15
    18   1     0.10  -0.03  -0.22    -0.10   0.03   0.27     0.11  -0.03  -0.26
    19   1     0.11  -0.02  -0.13    -0.16   0.03   0.18     0.14  -0.03  -0.15
    20   1     0.03  -0.07   0.21    -0.05   0.12  -0.28     0.05  -0.11   0.27
    21   1     0.04  -0.12   0.14    -0.04   0.14  -0.17     0.04  -0.13   0.15
    22   1    -0.01   0.04  -0.12    -0.04   0.14  -0.33    -0.03   0.11  -0.27
    23   1    -0.03   0.08  -0.09    -0.06   0.17  -0.20    -0.05   0.14  -0.15
    24   1     0.04   0.05   0.13     0.08   0.11   0.33     0.07   0.09   0.27
    25   1     0.04   0.04   0.07     0.12   0.13   0.20     0.10   0.11   0.15
    26   1    -0.03  -0.03  -0.02    -0.06  -0.03  -0.04    -0.05  -0.02  -0.02
    27   1     0.01   0.07  -0.02    -0.00   0.15  -0.05    -0.01   0.09  -0.03
    28   1     0.02  -0.00   0.02     0.04  -0.06   0.04     0.03  -0.04   0.02
    29   1     0.03   0.04   0.02     0.06   0.15   0.05     0.04   0.07   0.03
    30   1     0.01   0.03  -0.03     0.01  -0.07   0.04     0.00   0.05  -0.02
    31   1     0.08  -0.04  -0.03    -0.12   0.07   0.04     0.08  -0.03  -0.03
    32   1    -0.06  -0.00   0.03     0.05   0.02  -0.04    -0.05  -0.01   0.02
    33   1     0.07  -0.08   0.03    -0.07   0.10  -0.04     0.04  -0.07   0.03
    34   1    -0.06   0.04   0.05     0.01   0.01   0.01     0.04  -0.03  -0.02
    35   1     0.14   0.08   0.05     0.01   0.01   0.01    -0.06  -0.05  -0.03
    36   1    -0.02  -0.07  -0.05    -0.02  -0.02  -0.01     0.01   0.05   0.02
    37   1     0.16   0.02  -0.05     0.03   0.01  -0.01    -0.08  -0.00   0.03
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1108.4617              1117.7034              1118.3114
 Red. masses --      1.0212                 1.0268                 1.0266
 Frc consts  --      0.7393                 0.7557                 0.7565
 IR Inten    --      0.9199                 0.0040                 0.0027
 RamAct Fr= 1--      0.0014                 0.7757                 0.7685
  Dep-P Fr= 1--      0.6215                 0.7500                 0.7499
  Dep-U Fr= 1--      0.7666                 0.8571                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.0002                 0.1108                 0.1098
 AlphaG Fr= 1--     -0.0000                 0.0000                -0.0000
 Gamma2 Fr= 1--     -0.0010                -0.6359                -0.6223
 Delta2 Fr= 1--     -0.0003                -0.3905                -0.3783
 Raman1 Fr= 1--       0.005                  3.103                  3.074
 ROA1   Fr= 1--      -0.102                -73.546                -71.847
 CID1   Fr= 1--     -18.715                -23.703                -23.371
 Raman2 Fr= 1--       0.002                  1.330                  1.317
 ROA2   Fr= 1--      -0.020                -12.138                -11.909
 CID2   Fr= 1--      -9.762                 -9.128                 -9.040
 Raman3 Fr= 1--       0.004                  2.660                  2.635
 ROA3   Fr= 1--      -0.102                -73.546                -71.847
 CID3   Fr= 1--     -24.413                -27.654                -27.269
 RC180  Fr= 1--       0.533                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00     0.00   0.01  -0.00    -0.00  -0.00   0.01
     2   6     0.00  -0.00   0.00    -0.00  -0.01  -0.01     0.00   0.00  -0.00
     3   7    -0.00  -0.01   0.00     0.00  -0.01   0.01    -0.00   0.00  -0.01
     4  45     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     5   7     0.00   0.01   0.00     0.01   0.01   0.01    -0.00  -0.01  -0.01
     6   7    -0.01  -0.00   0.00     0.01  -0.00  -0.01     0.00  -0.00  -0.01
     7   6    -0.00   0.00  -0.00     0.01   0.00   0.01     0.00   0.00  -0.00
     8   6    -0.00   0.00   0.00    -0.01  -0.00   0.00    -0.00  -0.00   0.01
     9   7     0.01   0.00   0.00    -0.01  -0.01  -0.01    -0.01  -0.01  -0.01
    10   7    -0.01   0.01   0.00     0.00  -0.00   0.00    -0.01   0.00   0.01
    11   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.01   0.01  -0.00
    12   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.01  -0.00  -0.01
    13   7     0.01  -0.01   0.00     0.00  -0.00   0.00     0.00  -0.01   0.01
    14   1     0.05   0.09   0.09    -0.07  -0.10  -0.09    -0.03  -0.04  -0.05
    15   1    -0.11  -0.13  -0.18     0.14   0.15   0.20     0.07   0.08   0.11
    16   1    -0.10   0.04   0.09     0.11  -0.03  -0.09     0.07  -0.03  -0.05
    17   1     0.16  -0.04  -0.18    -0.20   0.04   0.20    -0.11   0.02   0.10
    18   1    -0.10   0.00   0.09    -0.02  -0.00   0.00    -0.14   0.01   0.11
    19   1     0.15  -0.03  -0.17     0.01  -0.00  -0.00     0.23  -0.05  -0.24
    20   1     0.02  -0.10   0.09     0.00   0.01   0.00     0.03  -0.14   0.11
    21   1    -0.04   0.15  -0.17    -0.00   0.01  -0.02    -0.08   0.22  -0.24
    22   1     0.05  -0.09   0.09     0.05  -0.10   0.09    -0.04   0.07  -0.05
    23   1    -0.06   0.15  -0.17    -0.06   0.19  -0.20     0.04  -0.11   0.11
    24   1     0.08   0.06   0.09     0.10   0.08   0.09    -0.04  -0.04  -0.05
    25   1    -0.11  -0.11  -0.17    -0.13  -0.16  -0.20     0.08   0.09   0.12
    26   1    -0.08  -0.26   0.01    -0.10  -0.32  -0.00     0.05   0.18   0.00
    27   1     0.09   0.09   0.00     0.11   0.17  -0.00    -0.08  -0.09  -0.00
    28   1     0.02   0.27   0.01     0.03   0.32  -0.00    -0.02  -0.20  -0.00
    29   1     0.05  -0.12   0.00     0.05  -0.19  -0.00    -0.01   0.12   0.01
    30   1    -0.18   0.20   0.01    -0.01   0.01  -0.00    -0.26   0.28  -0.00
    31   1     0.03  -0.12   0.00    -0.01  -0.01   0.00     0.10  -0.21  -0.00
    32   1     0.22  -0.15   0.01     0.02  -0.01   0.00     0.31  -0.22  -0.00
    33   1    -0.13   0.01   0.00    -0.01   0.02  -0.00    -0.22   0.07  -0.00
    34   1     0.28   0.06   0.01    -0.31  -0.07   0.00    -0.17  -0.04  -0.00
    35   1    -0.13   0.04   0.00     0.19  -0.02   0.00     0.11   0.01   0.01
    36   1    -0.26  -0.12   0.01     0.30   0.13   0.00     0.15   0.07   0.01
    37   1     0.08   0.11  -0.00    -0.16  -0.13   0.01    -0.07  -0.08  -0.00
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1171.7747              1172.1504              1193.0513
 Red. masses --      1.0716                 1.0712                 1.0616
 Frc consts  --      0.8669                 0.8671                 0.8903
 IR Inten    --     69.5740                69.4777                 0.0021
 RamAct Fr= 1--     10.3384                10.3346                 8.2775
  Dep-P Fr= 1--      0.7500                 0.7500                 0.2294
  Dep-U Fr= 1--      0.8571                 0.8571                 0.3732
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.1039
 Beta2  Fr= 1--      1.4769                 1.4764                 0.5149
 AlphaG Fr= 1--      0.0000                 0.0000                -0.2049
 Gamma2 Fr= 1--      1.9416                 1.9772                -1.0755
 Delta2 Fr= 1--      5.8318                 5.8383                -5.5031
 Raman1 Fr= 1--      41.354                 41.338                 33.110
 ROA1   Fr= 1--     373.016                376.638               -279.351
 CID1   Fr= 1--       9.020                  9.111                 -8.437
 Raman2 Fr= 1--      17.723                 17.716                  6.178
 ROA2   Fr= 1--      -0.055                  0.746                 18.213
 CID2   Fr= 1--      -0.003                  0.042                  2.948
 Raman3 Fr= 1--      35.446                 35.433                 12.357
 ROA3   Fr= 1--     373.016                376.638               -279.351
 CID3   Fr= 1--      10.524                 10.630                -22.607
 RC180  Fr= 1--       0.714                  0.714                 -0.254
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00   0.01
     2   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.01
     3   7    -0.00  -0.01  -0.00    -0.00  -0.04  -0.02     0.00  -0.02  -0.01
     4  45     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     5   7    -0.00  -0.01   0.01    -0.01  -0.03   0.02    -0.01  -0.02   0.01
     6   7    -0.03  -0.01  -0.02    -0.00  -0.00  -0.00     0.02  -0.00   0.01
     7   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.01
     8   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.01
     9   7    -0.03  -0.01   0.02    -0.01  -0.00   0.00     0.02   0.02  -0.01
    10   7    -0.02   0.01  -0.01     0.02  -0.01   0.01    -0.02   0.01  -0.01
    11   6    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.01
    12   6    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.01
    13   7    -0.01   0.02   0.01     0.02  -0.02  -0.01    -0.01   0.02   0.01
    14   1    -0.13  -0.18  -0.24    -0.03  -0.04  -0.05     0.10   0.15   0.17
    15   1     0.02   0.02   0.02    -0.00   0.00   0.00    -0.02  -0.01  -0.02
    16   1    -0.22   0.07   0.24    -0.04   0.01   0.05     0.17  -0.06  -0.17
    17   1     0.02   0.00  -0.01     0.01   0.00  -0.00    -0.02   0.00   0.02
    18   1    -0.16   0.01   0.17     0.17  -0.02  -0.18    -0.18   0.01   0.17
    19   1     0.01  -0.00  -0.01    -0.02   0.01   0.01     0.02  -0.01  -0.02
    20   1    -0.04   0.15  -0.16     0.04  -0.17   0.18    -0.04   0.18  -0.17
    21   1     0.01  -0.02   0.01    -0.01   0.01  -0.01     0.01  -0.02   0.02
    22   1     0.03  -0.07   0.07     0.09  -0.20   0.24     0.08  -0.16   0.17
    23   1     0.00   0.01  -0.00    -0.00   0.02  -0.01    -0.00   0.02  -0.02
    24   1    -0.06  -0.05  -0.08    -0.16  -0.15  -0.23    -0.13  -0.12  -0.17
    25   1     0.00   0.00   0.00     0.01   0.02   0.01     0.01   0.02   0.02
    26   1     0.02   0.08  -0.03     0.04   0.20  -0.10     0.03   0.15  -0.06
    27   1     0.03   0.15  -0.02     0.08   0.35  -0.04     0.07   0.26  -0.03
    28   1     0.01   0.06   0.03     0.04   0.21   0.11     0.03   0.15   0.06
    29   1     0.01   0.10   0.01     0.07   0.38   0.04     0.03   0.27   0.03
    30   1     0.10  -0.09  -0.07    -0.13   0.11   0.08     0.11  -0.10  -0.06
    31   1     0.17  -0.17  -0.03    -0.23   0.21   0.04     0.19  -0.19  -0.03
    32   1     0.12  -0.10   0.08    -0.12   0.10  -0.08     0.11  -0.10   0.06
    33   1     0.22  -0.18   0.03    -0.21   0.17  -0.03     0.22  -0.17   0.03
    34   1     0.20   0.07   0.11     0.03   0.01   0.02    -0.14  -0.05  -0.06
    35   1     0.37   0.12   0.04     0.05   0.01   0.00    -0.27  -0.07  -0.03
    36   1     0.20   0.07  -0.11     0.05   0.02  -0.02    -0.14  -0.05   0.06
    37   1     0.35   0.13  -0.04     0.10   0.03  -0.01    -0.25  -0.11   0.03
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1225.7487              1226.1536              1247.0729
 Red. masses --      1.2483                 1.2468                 1.2371
 Frc consts  --      1.1050                 1.1045                 1.1336
 IR Inten    --      0.0051                 0.0031                38.5500
 RamAct Fr= 1--      7.5238                 7.5472                 0.0015
  Dep-P Fr= 1--      0.7500                 0.7500                 0.3054
  Dep-U Fr= 1--      0.8571                 0.8571                 0.4679
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      1.0748                 1.0782                 0.0001
 AlphaG Fr= 1--      0.0000                -0.0000                 0.0000
 Gamma2 Fr= 1--     -7.1914                -7.2201                -0.0011
 Delta2 Fr= 1--     -0.5421                -0.5234                -0.0002
 Raman1 Fr= 1--      30.095                 30.189                  0.006
 ROA1   Fr= 1--    -707.722               -709.877                 -0.109
 CID1   Fr= 1--     -23.516                -23.515                -18.073
 Raman2 Fr= 1--      12.898                 12.938                  0.001
 ROA2   Fr= 1--    -168.257               -169.095                 -0.024
 CID2   Fr= 1--     -13.045                -13.070                -17.278
 Raman3 Fr= 1--      25.796                 25.876                  0.003
 ROA3   Fr= 1--    -707.722               -709.877                 -0.109
 CID3   Fr= 1--     -27.435                -27.434                -38.624
 RC180  Fr= 1--       0.714                  0.714                 -0.064
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.02  -0.01    -0.00  -0.03   0.02    -0.00  -0.03   0.01
     2   6    -0.01  -0.02  -0.01     0.00   0.04   0.02     0.01   0.03   0.01
     3   7     0.01   0.03   0.02    -0.00  -0.05  -0.03    -0.01  -0.04  -0.02
     4  45     0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     5   7    -0.01  -0.03   0.02     0.01   0.05  -0.03     0.01   0.04  -0.02
     6   7    -0.05  -0.01  -0.04    -0.00   0.00   0.00    -0.04  -0.01  -0.02
     7   6     0.04   0.01   0.02     0.00  -0.01   0.00     0.03   0.01   0.01
     8   6    -0.04  -0.01   0.02    -0.00   0.01   0.00    -0.03  -0.01   0.01
     9   7     0.05   0.02  -0.04     0.00  -0.00  -0.00     0.04   0.01  -0.02
    10   7     0.02  -0.01   0.02     0.04  -0.03   0.03    -0.03   0.03  -0.02
    11   6    -0.02   0.01  -0.01    -0.02   0.03  -0.02     0.02  -0.02   0.01
    12   6     0.02  -0.01  -0.01     0.03  -0.03  -0.02    -0.02   0.02   0.01
    13   7    -0.02   0.02   0.02    -0.03   0.04   0.03     0.03  -0.03  -0.02
    14   1     0.02   0.04   0.16    -0.02  -0.03  -0.02     0.00   0.02   0.09
    15   1     0.00  -0.02  -0.01     0.01   0.01  -0.00     0.03   0.01   0.02
    16   1    -0.04   0.02   0.16    -0.03   0.01   0.02    -0.01   0.01   0.09
    17   1     0.01  -0.02  -0.01     0.01  -0.00   0.00    -0.03  -0.01   0.02
    18   1     0.05   0.00  -0.09     0.02   0.00  -0.13    -0.02  -0.01   0.09
    19   1    -0.02  -0.00   0.00    -0.01  -0.01   0.01    -0.03   0.02   0.02
    20   1     0.00  -0.01  -0.07    -0.01   0.06  -0.15    -0.00  -0.02   0.09
    21   1    -0.01  -0.00   0.01    -0.01  -0.02   0.01     0.02  -0.02   0.02
    22   1     0.00  -0.01  -0.07     0.03  -0.05   0.15     0.01  -0.01   0.09
    23   1     0.01   0.00   0.01    -0.02   0.01  -0.00    -0.00  -0.03   0.02
    24   1    -0.04  -0.03  -0.10     0.02   0.01   0.13     0.02   0.01   0.09
    25   1     0.01   0.01   0.00    -0.01   0.00  -0.01     0.01   0.03   0.02
    26   1     0.01   0.10  -0.07    -0.03  -0.18   0.14    -0.02  -0.12   0.07
    27   1     0.09   0.26  -0.02    -0.10  -0.38   0.03    -0.09  -0.35   0.04
    28   1    -0.03  -0.11  -0.08     0.04   0.17   0.13     0.02   0.11   0.07
    29   1    -0.04  -0.22  -0.02     0.04   0.42   0.03     0.05   0.36   0.04
    30   1     0.09  -0.07  -0.08     0.14  -0.11  -0.13    -0.09   0.08   0.07
    31   1     0.15  -0.14  -0.02     0.29  -0.32  -0.03    -0.26   0.25   0.04
    32   1    -0.07   0.07  -0.07    -0.13   0.13  -0.14     0.09  -0.08   0.07
    33   1    -0.22   0.14  -0.02    -0.32   0.24  -0.03     0.28  -0.22   0.04
    34   1     0.19   0.08   0.15    -0.01  -0.00  -0.01     0.12   0.04   0.08
    35   1     0.46   0.11   0.04     0.04  -0.01   0.00     0.35   0.10   0.04
    36   1    -0.20  -0.06   0.15    -0.01  -0.01   0.01    -0.11  -0.04   0.08
    37   1    -0.43  -0.19   0.04     0.01   0.02  -0.00    -0.34  -0.14   0.04
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1291.1171              1291.1475              1296.0330
 Red. masses --      1.4120                 1.4127                 1.3762
 Frc consts  --      1.3868                 1.3875                 1.3620
 IR Inten    --      0.5905                 0.6152                 0.0035
 RamAct Fr= 1--      2.2049                 2.2123                 5.9398
  Dep-P Fr= 1--      0.7425                 0.7456                 0.0152
  Dep-U Fr= 1--      0.8523                 0.8542                 0.0299
 Alpha2 Fr= 1--      0.0003                 0.0002                 0.1274
 Beta2  Fr= 1--      0.3132                 0.3150                 0.0296
 AlphaG Fr= 1--      0.0001                 0.0001                -0.0041
 Gamma2 Fr= 1--      0.8021                 0.8002                 1.1771
 Delta2 Fr= 1--      0.2602                 0.2579                 0.7818
 Raman1 Fr= 1--       8.820                  8.849                 23.759
 ROA1   Fr= 1--      85.328                 85.074                138.016
 CID1   Fr= 1--       9.675                  9.614                  5.809
 Raman2 Fr= 1--       3.758                  3.780                  0.355
 ROA2   Fr= 1--      17.169                 17.141                 21.995
 CID2   Fr= 1--       4.568                  4.535                 61.979
 Raman3 Fr= 1--       7.517                  7.560                  0.710
 ROA3   Fr= 1--      85.328                 85.074                138.016
 CID3   Fr= 1--      11.352                 11.254                194.453
 RC180  Fr= 1--       0.705                  0.708                 -0.940
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.06  -0.02  -0.03    -0.07   0.02   0.03    -0.06   0.02   0.03
     2   6    -0.06   0.01   0.03     0.07  -0.01  -0.03     0.06  -0.01  -0.03
     3   7     0.02   0.01  -0.02    -0.02  -0.01   0.01    -0.02  -0.01   0.01
     4  45     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     5   7    -0.01   0.02   0.01     0.02  -0.02  -0.02     0.02  -0.01  -0.02
     6   7     0.00  -0.01   0.01    -0.01  -0.03   0.02     0.00   0.02  -0.01
     7   6    -0.01   0.03  -0.02    -0.02   0.09  -0.04     0.02  -0.06   0.03
     8   6     0.02  -0.03   0.01     0.03  -0.08   0.04    -0.02   0.05  -0.03
     9   7    -0.01   0.01  -0.00    -0.03   0.02  -0.02     0.01  -0.01   0.01
    10   7     0.00   0.03   0.02     0.00   0.00   0.01     0.00   0.02   0.02
    11   6    -0.05  -0.07  -0.04    -0.01  -0.01  -0.01    -0.04  -0.05  -0.03
    12   6     0.06   0.06   0.04     0.01   0.01   0.00     0.05   0.05   0.03
    13   7    -0.03  -0.01  -0.02    -0.01   0.00   0.00    -0.02  -0.01  -0.02
    14   1     0.01   0.03  -0.05     0.04   0.08  -0.07    -0.01  -0.02   0.06
    15   1    -0.01   0.02   0.12    -0.06   0.02   0.29     0.03  -0.03  -0.22
    16   1     0.03  -0.01   0.01     0.09  -0.04   0.08    -0.03   0.01  -0.06
    17   1    -0.03  -0.02  -0.11    -0.02  -0.05  -0.29     0.01   0.04   0.22
    18   1     0.09   0.01   0.08     0.01  -0.00  -0.01     0.04   0.00   0.07
    19   1    -0.00   0.06  -0.29    -0.02   0.02  -0.04     0.01   0.05  -0.25
    20   1     0.01  -0.09  -0.07    -0.00  -0.02  -0.03     0.00  -0.04  -0.07
    21   1    -0.06   0.00   0.28    -0.00  -0.01   0.04    -0.05  -0.01   0.25
    22   1     0.03  -0.06  -0.04    -0.04   0.06   0.07    -0.02   0.03   0.07
    23   1     0.03   0.04   0.20    -0.04  -0.02  -0.23    -0.04  -0.02  -0.23
    24   1    -0.06  -0.04   0.07     0.06   0.04  -0.05     0.03   0.02  -0.06
    25   1    -0.03   0.03  -0.20     0.02  -0.05   0.22     0.03  -0.03   0.23
    26   1    -0.10  -0.25  -0.02     0.11   0.26   0.04     0.10   0.24   0.02
    27   1     0.10   0.11   0.01    -0.13  -0.14  -0.01    -0.11  -0.14  -0.01
    28   1     0.01  -0.25   0.03    -0.00   0.29  -0.03     0.00   0.26  -0.02
    29   1    -0.06   0.17  -0.01     0.06  -0.15   0.01     0.05  -0.17   0.01
    30   1     0.22  -0.29   0.04     0.04  -0.05  -0.00     0.17  -0.22   0.02
    31   1    -0.07   0.23  -0.01    -0.00   0.01  -0.00    -0.07   0.18  -0.01
    32   1     0.32  -0.18  -0.04     0.04  -0.02  -0.01     0.24  -0.14  -0.02
    33   1    -0.22   0.04   0.01    -0.06   0.01   0.00    -0.19   0.04   0.01
    34   1     0.14   0.01  -0.02     0.37   0.05  -0.04    -0.24  -0.03   0.02
    35   1    -0.11   0.03   0.01    -0.23   0.05   0.01     0.17  -0.02  -0.01
    36   1     0.13   0.08   0.01     0.31   0.19   0.04    -0.20  -0.12  -0.02
    37   1    -0.04  -0.05  -0.00    -0.15  -0.19  -0.01     0.12   0.12   0.01
                     58                     59                     60
                      A                      A                      A
 Frequencies --   1331.8475              1332.0743              1341.4251
 Red. masses --      1.1854                 1.1859                 1.1699
 Frc consts  --      1.2389                 1.2398                 1.2403
 IR Inten    --     25.1226                25.3078                 0.0075
 RamAct Fr= 1--      4.9375                 4.8461                 2.3470
  Dep-P Fr= 1--      0.7500                 0.7500                 0.1638
  Dep-U Fr= 1--      0.8571                 0.8571                 0.2814
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0350
 Beta2  Fr= 1--      0.7053                 0.6923                 0.1101
 AlphaG Fr= 1--      0.0000                -0.0000                 0.0774
 Gamma2 Fr= 1--     -7.4278                -7.3893                 2.6367
 Delta2 Fr= 1--     -7.2758                -7.2201                 1.5359
 Raman1 Fr= 1--      19.750                 19.384                  9.388
 ROA1   Fr= 1--    -945.894               -940.419                302.275
 CID1   Fr= 1--     -47.893                -48.514                 32.197
 Raman2 Fr= 1--       8.464                  8.308                  1.321
 ROA2   Fr= 1--    -120.060               -119.584                 50.994
 CID2   Fr= 1--     -14.185                -14.395                 38.601
 Raman3 Fr= 1--      16.928                 16.615                  2.642
 ROA3   Fr= 1--    -945.894               -940.419                302.275
 CID3   Fr= 1--     -55.876                -56.600                114.407
 RC180  Fr= 1--       0.714                  0.714                 -0.437
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.00  -0.01    -0.00   0.01  -0.04    -0.01   0.01  -0.03
     2   6    -0.00   0.00   0.01     0.01   0.01   0.04     0.01   0.01   0.03
     3   7    -0.00  -0.01  -0.01    -0.04  -0.03  -0.02    -0.02  -0.03  -0.01
     4  45     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
     5   7     0.01  -0.01   0.00     0.02  -0.05   0.02     0.01  -0.03   0.01
     6   7    -0.03  -0.04  -0.02    -0.01  -0.01  -0.01     0.02   0.03   0.01
     7   6     0.00   0.01   0.04     0.01  -0.00   0.01    -0.00  -0.01  -0.03
     8   6     0.01  -0.00  -0.04     0.00  -0.01  -0.01    -0.01   0.01   0.03
     9   7    -0.04   0.01   0.02    -0.02   0.01   0.00     0.03  -0.01  -0.01
    10   7    -0.01   0.04  -0.01     0.01  -0.03   0.01    -0.01   0.03  -0.01
    11   6    -0.00  -0.01   0.03    -0.01   0.01  -0.03    -0.00  -0.01   0.03
    12   6     0.01  -0.00  -0.03    -0.01  -0.00   0.03     0.01   0.00  -0.03
    13   7    -0.03   0.01   0.01     0.04  -0.00  -0.01    -0.04   0.01   0.01
    14   1     0.16   0.23   0.20     0.07   0.09   0.10    -0.12  -0.16  -0.15
    15   1    -0.10  -0.14  -0.23    -0.06  -0.07  -0.08     0.10   0.11   0.16
    16   1     0.29  -0.09  -0.24     0.06  -0.02  -0.03    -0.19   0.05   0.15
    17   1    -0.19   0.05   0.24    -0.02   0.01   0.06     0.15  -0.03  -0.16
    18   1     0.25  -0.03  -0.20    -0.18   0.01   0.12     0.20  -0.02  -0.15
    19   1    -0.17   0.03   0.19     0.10  -0.01  -0.16    -0.15   0.03   0.16
    20   1     0.04  -0.20   0.14    -0.05   0.22  -0.19     0.05  -0.20   0.15
    21   1    -0.02   0.11  -0.17     0.05  -0.15   0.18    -0.05   0.15  -0.16
    22   1    -0.02   0.03  -0.01    -0.13   0.28  -0.24    -0.08   0.18  -0.15
    23   1     0.01  -0.00   0.04     0.08  -0.18   0.25     0.05  -0.15   0.16
    24   1     0.06   0.07   0.09     0.22   0.20   0.22     0.14   0.13   0.15
    25   1    -0.05  -0.06  -0.07    -0.13  -0.13  -0.24    -0.10  -0.11  -0.16
    26   1     0.03   0.06  -0.01     0.08   0.19  -0.07     0.07   0.18  -0.04
    27   1    -0.02   0.02  -0.01    -0.00   0.16  -0.02     0.01   0.11  -0.02
    28   1     0.00   0.02   0.02     0.00   0.21   0.06     0.00   0.20   0.04
    29   1    -0.00   0.05   0.00     0.07   0.14   0.02     0.04   0.10   0.02
    30   1     0.09  -0.11  -0.05    -0.10   0.13   0.04     0.13  -0.16  -0.04
    31   1     0.10  -0.07  -0.01    -0.09   0.03   0.02     0.10  -0.06  -0.02
    32   1     0.15  -0.09   0.05    -0.10   0.06  -0.05     0.17  -0.10   0.04
    33   1     0.05  -0.10   0.02    -0.08   0.08  -0.01     0.07  -0.09   0.02
    34   1     0.21   0.03   0.06     0.04   0.01   0.03    -0.20  -0.03  -0.04
    35   1     0.12   0.09   0.02     0.06   0.01   0.00    -0.10  -0.05  -0.02
    36   1     0.17   0.09  -0.07     0.07   0.05  -0.01    -0.17  -0.09   0.04
    37   1     0.15   0.02  -0.02     0.04  -0.02  -0.01    -0.11  -0.02   0.02
                     61                     62                     63
                      A                      A                      A
 Frequencies --   1346.2580              1348.4601              1348.5031
 Red. masses --      1.1927                 1.1917                 1.1913
 Frc consts  --      1.2736                 1.2767                 1.2764
 IR Inten    --     11.9941                 4.1926                 4.3316
 RamAct Fr= 1--      0.0217                11.1735                11.1069
  Dep-P Fr= 1--      0.7357                 0.7499                 0.7500
  Dep-U Fr= 1--      0.8477                 0.8571                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.0031                 1.5961                 1.5867
 AlphaG Fr= 1--      0.0000                 0.0000                 0.0000
 Gamma2 Fr= 1--      0.0134                12.5667                12.6115
 Delta2 Fr= 1--     -0.0015                 2.8400                 2.8999
 Raman1 Fr= 1--       0.087                 44.694                 44.428
 ROA1   Fr= 1--       1.234               1297.277               1303.505
 CID1   Fr= 1--      14.217                 29.026                 29.340
 Raman2 Fr= 1--       0.037                 19.154                 19.040
 ROA2   Fr= 1--       0.333                278.880                279.478
 CID2   Fr= 1--       9.056                 14.560                 14.678
 Raman3 Fr= 1--       0.074                 38.307                 38.080
 ROA3   Fr= 1--       1.234               1297.277               1303.505
 CID3   Fr= 1--      16.771                 33.865                 34.230
 RC180  Fr= 1--       0.695                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.01  -0.01    -0.04  -0.00  -0.01     0.04   0.01   0.00
     2   6    -0.03   0.02  -0.01    -0.03   0.02  -0.00     0.03  -0.02   0.01
     3   7     0.03   0.01  -0.00     0.02   0.01  -0.00    -0.03  -0.02   0.00
     4  45     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     5   7     0.02  -0.03  -0.00     0.02  -0.03  -0.00    -0.02   0.02   0.00
     6   7     0.01   0.03  -0.00    -0.02  -0.04   0.00    -0.01  -0.01  -0.00
     7   6     0.03  -0.03  -0.01    -0.03   0.04   0.01    -0.00   0.01   0.01
     8   6    -0.00  -0.04  -0.01     0.00   0.05   0.01     0.00   0.01  -0.00
     9   7    -0.03   0.02  -0.00     0.04  -0.02   0.00    -0.00  -0.00   0.00
    10   7    -0.00  -0.03  -0.00     0.00  -0.02   0.00    -0.00  -0.04  -0.00
    11   6     0.03   0.02  -0.01     0.02   0.01  -0.01     0.05   0.02  -0.01
    12   6     0.01   0.03  -0.01     0.00   0.02   0.00     0.02   0.05  -0.01
    13   7    -0.03  -0.01  -0.00    -0.01  -0.00  -0.00    -0.05  -0.01  -0.00
    14   1     0.13   0.16   0.22    -0.18  -0.23  -0.28    -0.01  -0.02  -0.02
    15   1    -0.12  -0.11  -0.05     0.14   0.14   0.08     0.00   0.00  -0.01
    16   1    -0.20   0.05   0.22     0.26  -0.07  -0.27     0.08  -0.02  -0.08
    17   1     0.15  -0.01  -0.05    -0.18   0.02   0.07    -0.06   0.01   0.04
    18   1    -0.19   0.03   0.20    -0.12   0.02   0.12    -0.27   0.03   0.27
    19   1     0.14  -0.04  -0.05     0.09  -0.03  -0.04     0.18  -0.05  -0.07
    20   1     0.05  -0.18   0.21     0.02  -0.07   0.07     0.08  -0.28   0.28
    21   1    -0.06   0.13  -0.05    -0.01   0.04  -0.01    -0.08   0.19  -0.08
    22   1     0.07  -0.19   0.22     0.07  -0.16   0.17    -0.09   0.21  -0.23
    23   1    -0.03   0.15  -0.05    -0.03   0.11  -0.03     0.04  -0.16   0.07
    24   1     0.14   0.15   0.22     0.15   0.15   0.21    -0.14  -0.13  -0.19
    25   1    -0.09  -0.13  -0.05    -0.09  -0.12  -0.07     0.08   0.10   0.04
    26   1     0.09   0.20  -0.01     0.10   0.22  -0.01    -0.09  -0.19   0.01
    27   1    -0.08  -0.03  -0.01    -0.05   0.00  -0.01     0.06   0.02   0.01
    28   1     0.01  -0.22  -0.01     0.01  -0.18  -0.00    -0.00   0.26   0.01
    29   1    -0.06   0.06  -0.01    -0.05   0.04  -0.01     0.05  -0.02   0.01
    30   1     0.11  -0.16  -0.01     0.04  -0.06   0.00     0.19  -0.26  -0.01
    31   1     0.02   0.08  -0.01     0.00   0.04  -0.01     0.03   0.07  -0.02
    32   1    -0.18   0.09  -0.01    -0.13   0.07  -0.01    -0.27   0.15  -0.01
    33   1     0.08   0.02  -0.01     0.01   0.02  -0.01     0.07   0.04  -0.02
    34   1    -0.21  -0.02  -0.01     0.30   0.03   0.01     0.09   0.01   0.01
    35   1     0.06  -0.05  -0.01    -0.05   0.06   0.02     0.01   0.01   0.00
    36   1     0.19   0.12  -0.01    -0.28  -0.17   0.01    -0.01  -0.01  -0.00
    37   1    -0.02  -0.08  -0.01    -0.00   0.08   0.02     0.01   0.02   0.00
                     64                     65                     66
                      A                      A                      A
 Frequencies --   1404.5241              1405.5276              1405.7048
 Red. masses --      1.2649                 1.2670                 1.2666
 Frc consts  --      1.4702                 1.4747                 1.4746
 IR Inten    --      0.0749                 1.3551                 1.3702
 RamAct Fr= 1--      0.0121                 2.3167                 2.3163
  Dep-P Fr= 1--      0.7498                 0.7500                 0.7500
  Dep-U Fr= 1--      0.8570                 0.8571                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.0017                 0.3310                 0.3309
 AlphaG Fr= 1--      0.0000                -0.0000                 0.0000
 Gamma2 Fr= 1--     -0.0133                -2.8195                -2.8522
 Delta2 Fr= 1--     -0.0055                -1.2320                -1.2402
 Raman1 Fr= 1--       0.048                  9.267                  9.265
 ROA1   Fr= 1--      -1.455               -310.096               -313.500
 CID1   Fr= 1--     -30.160                -33.463                -33.836
 Raman2 Fr= 1--       0.021                  3.971                  3.971
 ROA2   Fr= 1--      -0.275                -57.811                -58.532
 CID2   Fr= 1--     -13.325                -14.557                -14.741
 Raman3 Fr= 1--       0.041                  7.943                  7.942
 ROA3   Fr= 1--      -1.455               -310.096               -313.500
 CID3   Fr= 1--     -35.191                -39.040                -39.476
 RC180  Fr= 1--       0.714                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.03   0.04    -0.00  -0.01  -0.02     0.01   0.05   0.07
     2   6    -0.00  -0.03   0.04     0.00   0.01  -0.02    -0.01  -0.05   0.07
     3   7     0.01  -0.01  -0.01    -0.00   0.00   0.00     0.01  -0.01  -0.02
     4  45    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     5   7     0.01   0.00  -0.01    -0.01  -0.00   0.01     0.02   0.00  -0.02
     6   7    -0.01   0.01  -0.02    -0.01   0.01  -0.02     0.00  -0.00   0.00
     7   6    -0.04  -0.01   0.05    -0.04  -0.01   0.06     0.01   0.00  -0.02
     8   6     0.04   0.01   0.05     0.04   0.02   0.06    -0.01  -0.01  -0.02
     9   7     0.00   0.02  -0.02     0.00   0.02  -0.02    -0.00  -0.01   0.01
    10   7    -0.01  -0.00  -0.01     0.01   0.01   0.02     0.01   0.01   0.01
    11   6    -0.03   0.02   0.04     0.03  -0.02  -0.05     0.02  -0.02  -0.04
    12   6     0.02  -0.02   0.04    -0.03   0.03  -0.05    -0.02   0.02  -0.05
    13   7    -0.00  -0.01  -0.01     0.00   0.01   0.02     0.00   0.01   0.01
    14   1    -0.09  -0.12  -0.20    -0.10  -0.12  -0.25     0.03   0.04   0.07
    15   1    -0.16  -0.20  -0.21    -0.17  -0.23  -0.25     0.07   0.08   0.08
    16   1     0.14  -0.04  -0.20     0.16  -0.04  -0.24    -0.04   0.00   0.08
    17   1     0.25  -0.06  -0.21     0.28  -0.08  -0.26    -0.06   0.02   0.07
    18   1     0.13  -0.01  -0.17    -0.14   0.02   0.20    -0.11   0.02   0.18
    19   1     0.22  -0.04  -0.18    -0.26   0.04   0.22    -0.20   0.02   0.18
    20   1    -0.03   0.13  -0.17     0.04  -0.13   0.21     0.03  -0.12   0.17
    21   1    -0.07   0.21  -0.18     0.06  -0.23   0.21     0.06  -0.22   0.19
    22   1    -0.06   0.12  -0.17     0.01  -0.04   0.08    -0.07   0.16  -0.26
    23   1    -0.08   0.21  -0.18     0.03  -0.06   0.07    -0.12   0.30  -0.28
    24   1    -0.09  -0.09  -0.17     0.04   0.03   0.07    -0.12  -0.12  -0.27
    25   1    -0.15  -0.16  -0.18     0.07   0.08   0.08    -0.22  -0.22  -0.28
    26   1     0.04   0.08   0.02    -0.02  -0.05  -0.01     0.07   0.13   0.03
    27   1    -0.06  -0.08  -0.01     0.02   0.03   0.00    -0.07  -0.11  -0.01
    28   1     0.01  -0.09   0.02    -0.00   0.02  -0.01     0.01  -0.15   0.03
    29   1    -0.02   0.10  -0.01     0.01  -0.04   0.00    -0.02   0.13  -0.01
    30   1     0.05  -0.08   0.02    -0.06   0.09  -0.02    -0.06   0.09  -0.02
    31   1    -0.04   0.09  -0.01     0.05  -0.09   0.01     0.05  -0.08   0.01
    32   1    -0.09   0.04   0.02     0.12  -0.06  -0.02     0.08  -0.04  -0.02
    33   1     0.10  -0.03  -0.01    -0.10   0.04   0.01    -0.09   0.03   0.01
    34   1    -0.11  -0.00   0.02    -0.14  -0.01   0.03     0.03   0.00  -0.01
    35   1     0.12  -0.01  -0.01     0.12  -0.00  -0.01    -0.04   0.01   0.00
    36   1     0.09   0.06   0.02     0.11   0.08   0.03    -0.05  -0.03  -0.01
    37   1    -0.09  -0.08  -0.01    -0.09  -0.08  -0.01     0.03   0.02   0.00
                     67                     68                     69
                      A                      A                      A
 Frequencies --   1443.1425              1443.4477              1446.5816
 Red. masses --      1.4440                 1.4419                 1.4480
 Frc consts  --      1.7718                 1.7700                 1.7853
 IR Inten    --      3.8558                 3.8701                 0.0073
 RamAct Fr= 1--      0.3460                 0.3430                 0.8674
  Dep-P Fr= 1--      0.7496                 0.7498                 0.5710
  Dep-U Fr= 1--      0.8569                 0.8570                 0.7269
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0029
 Beta2  Fr= 1--      0.0494                 0.0490                 0.1051
 AlphaG Fr= 1--     -0.0001                -0.0000                -0.0642
 Gamma2 Fr= 1--      0.6041                 0.6109                 0.2214
 Delta2 Fr= 1--      0.4789                 0.4820                 0.4197
 Raman1 Fr= 1--       1.384                  1.372                  3.469
 ROA1   Fr= 1--      73.316                 74.066                 34.685
 CID1   Fr= 1--      52.973                 53.985                  9.997
 Raman2 Fr= 1--       0.593                  0.588                  1.261
 ROA2   Fr= 1--      10.667                 10.805                  1.957
 CID2   Fr= 1--      17.988                 18.379                  1.552
 Raman3 Fr= 1--       1.186                  1.176                  2.522
 ROA3   Fr= 1--      73.316                 74.066                 34.685
 CID3   Fr= 1--      61.818                 62.993                 13.753
 RC180  Fr= 1--       0.714                  0.714                  0.454
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.01   0.03     0.03   0.02   0.09     0.03   0.01   0.08
     2   6    -0.01   0.01  -0.03    -0.02   0.03  -0.10    -0.02   0.02  -0.07
     3   7    -0.00   0.00   0.01    -0.01   0.01   0.03    -0.01   0.01   0.02
     4  45    -0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     5   7     0.01   0.00  -0.01     0.01   0.01  -0.03     0.01   0.01  -0.02
     6   7     0.01  -0.01   0.03     0.00  -0.00   0.01    -0.01   0.00  -0.02
     7   6     0.03  -0.02  -0.10     0.00  -0.00  -0.02    -0.02   0.01   0.07
     8   6     0.01   0.04   0.10     0.00   0.01   0.02    -0.01  -0.02  -0.07
     9   7     0.01   0.01  -0.03     0.00   0.00  -0.00    -0.01  -0.01   0.02
    10   7     0.01   0.00   0.02    -0.01  -0.00  -0.02     0.01   0.00   0.02
    11   6     0.02   0.00  -0.06    -0.03  -0.00   0.08     0.03   0.00  -0.07
    12   6    -0.00  -0.02   0.06    -0.00   0.03  -0.08     0.00  -0.03   0.07
    13   7     0.00  -0.01  -0.02     0.00   0.01   0.02     0.00  -0.01  -0.02
    14   1    -0.11  -0.07  -0.19    -0.03  -0.03  -0.04     0.08   0.07   0.12
    15   1    -0.14  -0.27  -0.36    -0.04  -0.06  -0.07     0.10   0.18   0.23
    16   1    -0.14  -0.01   0.19    -0.02  -0.01   0.03     0.10  -0.01  -0.12
    17   1    -0.28   0.13   0.37    -0.04   0.03   0.07     0.19  -0.08  -0.23
    18   1    -0.08   0.04   0.12     0.09  -0.05  -0.14    -0.10   0.04   0.13
    19   1    -0.20  -0.00   0.23     0.23   0.02  -0.28    -0.22  -0.00   0.25
    20   1    -0.05   0.06  -0.11     0.06  -0.10   0.14    -0.05   0.10  -0.13
    21   1    -0.01   0.18  -0.22     0.03  -0.25   0.28    -0.03   0.22  -0.25
    22   1    -0.01  -0.03   0.06     0.01  -0.13   0.17     0.02  -0.11   0.13
    23   1     0.05  -0.06   0.11     0.15  -0.25   0.34     0.11  -0.20   0.25
    24   1    -0.03  -0.04  -0.06    -0.05  -0.11  -0.17    -0.06  -0.10  -0.13
    25   1    -0.08  -0.07  -0.12    -0.23  -0.16  -0.34    -0.18  -0.14  -0.26
    26   1     0.02   0.03   0.01     0.05   0.08   0.06     0.04   0.05   0.05
    27   1    -0.03  -0.05  -0.00    -0.05  -0.14  -0.01    -0.04  -0.14  -0.00
    28   1    -0.01   0.03  -0.03    -0.02   0.10  -0.06    -0.02   0.06  -0.05
    29   1    -0.01  -0.04   0.00     0.00  -0.15   0.01    -0.01  -0.14  -0.00
    30   1     0.03  -0.06   0.05    -0.04   0.07  -0.04     0.03  -0.06   0.05
    31   1    -0.07   0.07  -0.00     0.08  -0.10   0.00    -0.09   0.10   0.00
    32   1     0.06  -0.02  -0.03    -0.07   0.02   0.06     0.06  -0.02  -0.05
    33   1    -0.09   0.05   0.00     0.10  -0.07  -0.00    -0.11   0.08  -0.00
    34   1     0.10  -0.01  -0.06     0.02  -0.00  -0.02    -0.06   0.01   0.05
    35   1    -0.16  -0.02   0.01    -0.03  -0.02   0.00     0.13   0.03   0.00
    36   1     0.08   0.07   0.07     0.02   0.01   0.00    -0.04  -0.04  -0.05
    37   1    -0.15  -0.08  -0.01    -0.03  -0.03  -0.00     0.12   0.05  -0.00
                     70                     71                     72
                      A                      A                      A
 Frequencies --   1502.6718              1502.9195              1503.0272
 Red. masses --      1.0825                 1.0796                 1.0836
 Frc consts  --      1.4402                 1.4367                 1.4422
 IR Inten    --     44.5735                18.2203                 8.9762
 RamAct Fr= 1--      2.1691                 2.7369                 7.8484
  Dep-P Fr= 1--      0.3245                 0.7470                 0.1512
  Dep-U Fr= 1--      0.4900                 0.8552                 0.2626
 Alpha2 Fr= 1--      0.0206                 0.0001                 0.1210
 Beta2  Fr= 1--      0.1772                 0.3901                 0.3436
 AlphaG Fr= 1--      0.0550                 0.0004                 0.3228
 Gamma2 Fr= 1--      0.0034                 1.2337                 0.4380
 Delta2 Fr= 1--      0.1130                 0.8944                 0.3531
 Raman1 Fr= 1--       8.676                 10.948                 31.394
 ROA1   Fr= 1--       3.945                147.060                 53.349
 CID1   Fr= 1--       0.455                 13.433                  1.699
 Raman2 Fr= 1--       2.126                  4.681                  4.123
 ROA2   Fr= 1--      -0.822                 22.455                  7.688
 CID2   Fr= 1--      -0.387                  4.797                  1.865
 Raman3 Fr= 1--       4.252                  9.362                  8.246
 ROA3   Fr= 1--       3.945                147.060                 53.349
 CID3   Fr= 1--       0.928                 15.708                  6.470
 RC180  Fr= 1--      -0.020                  0.710                 -0.475
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.01     0.00   0.00   0.00    -0.00  -0.01   0.00
     2   6     0.01  -0.01  -0.01    -0.01   0.02   0.02     0.01  -0.04  -0.04
     3   7    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.01  -0.00
     4  45    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     5   7    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     6   7    -0.01  -0.00  -0.00    -0.01   0.00  -0.00     0.00  -0.00   0.00
     7   6    -0.05   0.01  -0.04    -0.03   0.00  -0.03     0.01  -0.00   0.01
     8   6    -0.00   0.00  -0.01    -0.01  -0.01   0.00     0.01   0.01  -0.01
     9   7     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    10   7    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.01   0.00  -0.00
    11   6    -0.01   0.00  -0.01    -0.02   0.01  -0.00    -0.04   0.01  -0.03
    12   6     0.01  -0.03  -0.03    -0.02   0.04   0.04    -0.01   0.02   0.01
    13   7     0.00  -0.00  -0.00    -0.00   0.01   0.00     0.00   0.01   0.00
    14   1    -0.01  -0.05   0.03    -0.00   0.05  -0.03     0.00  -0.13   0.09
    15   1    -0.03   0.03   0.06     0.07   0.02  -0.00    -0.14   0.00   0.06
    16   1     0.29  -0.37   0.29     0.21  -0.26   0.20    -0.07   0.09  -0.07
    17   1     0.39   0.30   0.22     0.30   0.21   0.14    -0.10  -0.07  -0.04
    18   1     0.12   0.06   0.08     0.09   0.06   0.07     0.31   0.18   0.22
    19   1     0.05  -0.12   0.08     0.10  -0.11   0.02     0.21  -0.33   0.15
    20   1     0.11   0.29   0.19    -0.16  -0.40  -0.27    -0.08  -0.18  -0.12
    21   1    -0.30   0.12   0.15     0.42  -0.19  -0.19     0.20  -0.11  -0.06
    22   1    -0.13   0.08   0.10     0.19  -0.11  -0.13    -0.34   0.20   0.25
    23   1     0.08   0.13   0.08    -0.11  -0.21  -0.10     0.21   0.37   0.18
    24   1    -0.07  -0.01   0.05     0.01   0.00  -0.00     0.04   0.00  -0.03
    25   1     0.03  -0.06   0.06    -0.01   0.01  -0.01     0.02   0.06   0.01
    26   1    -0.01  -0.03   0.02    -0.00  -0.01  -0.00     0.00   0.00   0.02
    27   1     0.03   0.00   0.00    -0.01  -0.00  -0.00     0.03   0.01   0.00
    28   1     0.00   0.01   0.00     0.00   0.00   0.01     0.00   0.02  -0.01
    29   1     0.01  -0.00   0.00     0.01  -0.01   0.00    -0.00   0.01  -0.00
    30   1    -0.01   0.01  -0.00     0.00  -0.00   0.02    -0.00   0.00   0.02
    31   1    -0.00  -0.00  -0.00    -0.01  -0.03   0.00    -0.01  -0.03   0.00
    32   1     0.01  -0.01   0.01    -0.01   0.00  -0.03     0.00  -0.00  -0.02
    33   1    -0.02  -0.01   0.00     0.04   0.02  -0.00     0.02   0.01  -0.00
    34   1     0.02   0.01  -0.01    -0.02  -0.00  -0.03    -0.01  -0.00   0.01
    35   1     0.01   0.00  -0.00     0.02  -0.02  -0.00    -0.01   0.00   0.00
    36   1    -0.01  -0.01   0.02     0.01   0.00   0.01    -0.02  -0.01   0.00
    37   1     0.00   0.04   0.00     0.00   0.02   0.00    -0.00   0.00   0.00
                     73                     74                     75
                      A                      A                      A
 Frequencies --   1503.3185              1503.5781              1503.9600
 Red. masses --      1.0792                 1.0792                 1.0798
 Frc consts  --      1.4370                 1.4375                 1.4391
 IR Inten    --      4.8342                21.8620                 6.1460
 RamAct Fr= 1--     14.2483                 3.7139                13.2698
  Dep-P Fr= 1--      0.7491                 0.7117                 0.6465
  Dep-U Fr= 1--      0.8566                 0.8316                 0.7853
 Alpha2 Fr= 1--      0.0002                 0.0025                 0.0247
 Beta2  Fr= 1--      2.0341                 0.5147                 1.7368
 AlphaG Fr= 1--      0.0005                 0.0068                 0.0655
 Gamma2 Fr= 1--     -5.7748                 1.4901                -3.9084
 Delta2 Fr= 1--     -1.4680                 1.1389                -0.7418
 Raman1 Fr= 1--      56.993                 14.856                 53.079
 ROA1   Fr= 1--    -601.356                179.495               -398.939
 CID1   Fr= 1--     -10.551                 12.083                 -7.516
 Raman2 Fr= 1--      24.410                  6.177                 20.841
 ROA2   Fr= 1--    -126.851                 26.651                -87.866
 CID2   Fr= 1--      -5.197                  4.315                 -4.216
 Raman3 Fr= 1--      48.820                 12.354                 41.683
 ROA3   Fr= 1--    -601.356                179.495               -398.939
 CID3   Fr= 1--     -12.318                 14.530                 -9.571
 RC180  Fr= 1--       0.713                  0.663                  0.571
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.01   0.00    -0.01  -0.02   0.02    -0.04  -0.04   0.05
     2   6     0.01  -0.04  -0.03     0.00  -0.01  -0.00    -0.00   0.00   0.01
     3   7     0.00  -0.01  -0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
     4  45     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
     5   7    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.01  -0.01   0.00
     6   7    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     7   6    -0.01   0.00  -0.01    -0.00  -0.00   0.01    -0.00   0.00  -0.01
     8   6    -0.01  -0.01   0.00    -0.04  -0.04   0.04     0.01   0.01  -0.02
     9   7     0.00  -0.00   0.00    -0.01  -0.01   0.00     0.00   0.00  -0.00
    10   7     0.01  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    11   6     0.04  -0.01   0.04    -0.01   0.00  -0.01     0.00  -0.00  -0.00
    12   6    -0.00   0.01   0.02     0.00  -0.01  -0.01     0.00  -0.01  -0.00
    13   7    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    14   1    -0.00   0.07  -0.04     0.01   0.54  -0.33    -0.00  -0.21   0.13
    15   1     0.09   0.02  -0.02     0.58   0.01  -0.24    -0.22  -0.00   0.10
    16   1     0.08  -0.11   0.08    -0.02   0.01  -0.01     0.04  -0.04   0.03
    17   1     0.13   0.08   0.05     0.02  -0.03  -0.05     0.03   0.04   0.04
    18   1    -0.37  -0.21  -0.26     0.13   0.07   0.08    -0.01  -0.01  -0.01
    19   1    -0.22   0.39  -0.20     0.09  -0.13   0.06    -0.02   0.02   0.00
    20   1    -0.06  -0.17  -0.11     0.03   0.07   0.04     0.02   0.05   0.03
    21   1     0.17  -0.04  -0.11    -0.07   0.02   0.04    -0.06   0.04   0.01
    22   1    -0.30   0.18   0.21    -0.05   0.03   0.04     0.06  -0.04  -0.04
    23   1     0.17   0.34   0.14     0.02   0.07   0.01    -0.05  -0.03  -0.07
    24   1     0.06   0.00  -0.04     0.21   0.03  -0.13     0.55   0.08  -0.34
    25   1     0.02   0.08   0.00    -0.02   0.22  -0.09    -0.07   0.59  -0.25
    26   1    -0.00  -0.01   0.02     0.00   0.00   0.01    -0.00   0.00   0.02
    27   1     0.03   0.01   0.00     0.01   0.00   0.00     0.01   0.01   0.00
    28   1    -0.00  -0.02  -0.02     0.00   0.00  -0.01    -0.00  -0.01  -0.02
    29   1    -0.03   0.02  -0.00    -0.01   0.01  -0.00    -0.04   0.02  -0.00
    30   1     0.01  -0.01  -0.01     0.00  -0.00  -0.00     0.02  -0.02  -0.01
    31   1     0.01   0.03  -0.00     0.00  -0.00   0.00     0.01   0.02  -0.00
    32   1    -0.01   0.01   0.01    -0.02   0.01  -0.02     0.01  -0.01   0.01
    33   1     0.00   0.00   0.00     0.02   0.01  -0.00    -0.01  -0.01   0.00
    34   1    -0.01  -0.00  -0.01    -0.00  -0.00  -0.02     0.01   0.00   0.01
    35   1     0.01  -0.01  -0.00     0.03  -0.03  -0.00    -0.01   0.01   0.00
    36   1    -0.02  -0.01   0.02     0.00  -0.00   0.02     0.00   0.00  -0.01
    37   1    -0.00   0.03   0.00     0.01   0.02   0.00    -0.00  -0.00  -0.00
                     76                     77                     78
                      A                      A                      A
 Frequencies --   1643.7687              1657.2017              1657.7968
 Red. masses --      1.0765                 1.0784                 1.0781
 Frc consts  --      1.7137                 1.7450                 1.7457
 IR Inten    --     84.6136                39.8373                41.2688
 RamAct Fr= 1--      0.0146                 6.6469                 6.2651
  Dep-P Fr= 1--      0.7487                 0.7500                 0.7500
  Dep-U Fr= 1--      0.8563                 0.8571                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.0021                 0.9496                 0.8950
 AlphaG Fr= 1--      0.0000                 0.0000                -0.0001
 Gamma2 Fr= 1--      0.0064                 3.6766                 3.1069
 Delta2 Fr= 1--      0.0093                 5.8324                 5.4426
 Raman1 Fr= 1--       0.058                 26.588                 25.060
 ROA1   Fr= 1--       0.907                539.591                472.425
 CID1   Fr= 1--      15.568                 20.295                 18.851
 Raman2 Fr= 1--       0.025                 11.395                 10.740
 ROA2   Fr= 1--       0.078                 41.579                 31.024
 CID2   Fr= 1--       3.135                  3.649                  2.889
 Raman3 Fr= 1--       0.050                 22.789                 21.480
 ROA3   Fr= 1--       0.907                539.591                472.425
 CID3   Fr= 1--      18.180                 23.677                 21.994
 RC180  Fr= 1--       0.713                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.00  -0.00   0.01    -0.00   0.00  -0.01
     2   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.01    -0.00  -0.00   0.00
     3   7    -0.02   0.01  -0.02    -0.02   0.02  -0.02    -0.01   0.01  -0.01
     4  45    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
     5   7    -0.02  -0.01  -0.02     0.01   0.00   0.01    -0.03  -0.01  -0.02
     6   7     0.02  -0.02  -0.02    -0.02   0.01   0.02    -0.02   0.02   0.02
     7   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.01
     8   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.01
     9   7    -0.00  -0.02  -0.02     0.00   0.02   0.02    -0.00  -0.03  -0.02
    10   7     0.02   0.01  -0.02    -0.01  -0.00   0.01    -0.03  -0.01   0.02
    11   6     0.00   0.00  -0.00     0.00  -0.00   0.01     0.00  -0.01   0.01
    12   6     0.00   0.00  -0.00     0.01  -0.00  -0.01    -0.00  -0.00  -0.00
    13   7     0.01   0.02  -0.02     0.01   0.03  -0.02    -0.00  -0.01   0.01
    14   1     0.01   0.02  -0.00    -0.01  -0.01   0.00     0.02  -0.02   0.03
    15   1     0.00  -0.01  -0.01     0.00   0.01   0.01    -0.04  -0.00   0.01
    16   1    -0.02   0.01  -0.00     0.01  -0.00   0.00     0.00   0.02  -0.03
    17   1     0.00  -0.01  -0.01    -0.00   0.01   0.01    -0.03  -0.02  -0.01
    18   1    -0.02  -0.00  -0.00    -0.01  -0.02  -0.03     0.01  -0.01  -0.01
    19   1     0.01   0.01  -0.01    -0.01   0.02  -0.01    -0.02   0.01   0.00
    20   1     0.00  -0.02   0.00     0.02   0.00   0.02     0.00   0.01   0.01
    21   1     0.01   0.01  -0.01    -0.02   0.02   0.00    -0.01   0.00   0.00
    22   1     0.01  -0.02  -0.00    -0.02  -0.01   0.02     0.01  -0.01  -0.01
    23   1    -0.01   0.00  -0.01     0.01   0.03   0.00    -0.01  -0.01  -0.01
    24   1     0.02   0.01  -0.00     0.02  -0.01  -0.03    -0.00   0.01   0.01
    25   1    -0.01   0.00  -0.01    -0.00   0.03  -0.01    -0.01  -0.02  -0.00
    26   1     0.06   0.08   0.27    -0.04  -0.05  -0.16     0.07   0.10   0.31
    27   1     0.28  -0.04   0.02    -0.17   0.02  -0.01     0.34  -0.02   0.03
    28   1     0.03  -0.11   0.28     0.04  -0.13   0.36     0.01  -0.04   0.12
    29   1     0.29  -0.07   0.02     0.37  -0.12   0.03     0.12  -0.04   0.01
    30   1     0.04  -0.10   0.29     0.05  -0.13   0.36    -0.01   0.03  -0.10
    31   1    -0.19  -0.24   0.02    -0.23  -0.33   0.03     0.05   0.09  -0.01
    32   1    -0.10   0.03   0.26     0.05  -0.01  -0.13     0.12  -0.03  -0.31
    33   1    -0.19  -0.19   0.02     0.10   0.10  -0.01     0.25   0.23  -0.03
    34   1    -0.10   0.01   0.27     0.09  -0.01  -0.24     0.12  -0.02  -0.33
    35   1    -0.10   0.26   0.02     0.11  -0.23  -0.02     0.15  -0.33  -0.03
    36   1     0.07   0.07   0.26    -0.07  -0.07  -0.25     0.08   0.08   0.30
    37   1    -0.08   0.27   0.02     0.05  -0.27  -0.02    -0.08   0.32   0.03
                     79                     80                     81
                      A                      A                      A
 Frequencies --   1659.4543              1667.5236              1668.0859
 Red. masses --      1.0788                 1.0780                 1.0776
 Frc consts  --      1.7504                 1.7660                 1.7667
 IR Inten    --      0.3598                31.2951                32.9982
 RamAct Fr= 1--      3.4101                 5.6546                 5.3703
  Dep-P Fr= 1--      0.7494                 0.7500                 0.7500
  Dep-U Fr= 1--      0.8567                 0.8571                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.4869                 0.8078                 0.7672
 AlphaG Fr= 1--     -0.0042                -0.0000                -0.0000
 Gamma2 Fr= 1--    -10.6997                 5.3029                 5.0906
 Delta2 Fr= 1--     -4.3666                -0.0211                -0.1737
 Raman1 Fr= 1--      13.641                 22.618                 21.481
 ROA1   Fr= 1--   -1166.900                508.405                483.141
 CID1   Fr= 1--     -85.546                 22.478                 22.491
 Raman2 Fr= 1--       5.843                  9.694                  9.206
 ROA2   Fr= 1--    -221.860                127.438                123.564
 CID2   Fr= 1--     -37.969                 13.147                 13.422
 Raman3 Fr= 1--      11.686                 19.387                 18.413
 ROA3   Fr= 1--   -1166.900                508.405                483.141
 CID3   Fr= 1--     -99.852                 26.224                 26.240
 RC180  Fr= 1--       0.713                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.01     0.00  -0.00   0.00    -0.00   0.00  -0.01
     2   6     0.00   0.00   0.01     0.00   0.00   0.01     0.00   0.00   0.01
     3   7     0.02  -0.01   0.02     0.03  -0.02   0.02     0.01  -0.00   0.01
     4  45    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     5   7    -0.03  -0.00  -0.02     0.01   0.00   0.01    -0.03  -0.01  -0.02
     6   7     0.01  -0.01  -0.01    -0.01   0.02   0.02    -0.02   0.02   0.02
     7   6     0.00  -0.00  -0.01     0.00   0.00   0.01     0.00   0.00   0.00
     8   6    -0.00   0.00   0.01     0.00  -0.00  -0.01    -0.00   0.00   0.00
     9   7     0.00   0.02   0.02    -0.00  -0.02  -0.02     0.00   0.02   0.02
    10   7    -0.02  -0.01   0.02     0.01   0.00  -0.01     0.03   0.01  -0.03
    11   6    -0.00  -0.00   0.01     0.00   0.00   0.00     0.00   0.00  -0.01
    12   6     0.00   0.00  -0.01     0.00   0.00  -0.01    -0.00   0.00   0.00
    13   7     0.01   0.02  -0.02     0.01   0.03  -0.02    -0.00  -0.00   0.00
    14   1    -0.01   0.00  -0.01     0.01  -0.00   0.02    -0.01  -0.01  -0.00
    15   1     0.00  -0.01  -0.01    -0.01   0.01   0.01     0.00   0.00   0.00
    16   1    -0.01  -0.01   0.01     0.01   0.01  -0.02     0.01   0.00  -0.01
    17   1    -0.00   0.01   0.02    -0.01  -0.01  -0.01    -0.00   0.00  -0.00
    18   1     0.00  -0.02  -0.02    -0.01  -0.00  -0.01    -0.01   0.01   0.02
    19   1    -0.00   0.02  -0.02     0.00   0.01  -0.01     0.00  -0.01   0.01
    20   1     0.02   0.00   0.02     0.01  -0.01   0.01    -0.01  -0.01  -0.01
    21   1    -0.02  -0.00   0.02    -0.01   0.00   0.01     0.01   0.00  -0.01
    22   1     0.01   0.01  -0.02     0.00   0.02  -0.01     0.01   0.00  -0.01
    23   1    -0.01  -0.01  -0.02    -0.00  -0.01  -0.00    -0.01  -0.00  -0.01
    24   1    -0.01   0.01   0.02    -0.01  -0.01   0.00    -0.00   0.02   0.02
    25   1     0.01  -0.01   0.02     0.01  -0.00   0.01     0.01  -0.01   0.01
    26   1     0.06   0.06   0.32    -0.03  -0.03  -0.18     0.07   0.07   0.34
    27   1     0.33  -0.04   0.03    -0.18   0.03  -0.02     0.36  -0.03   0.03
    28   1    -0.03   0.07  -0.29    -0.04   0.10  -0.36    -0.01   0.03  -0.08
    29   1    -0.29   0.07  -0.03    -0.36   0.11  -0.03    -0.08   0.04  -0.01
    30   1     0.02  -0.07   0.28     0.03  -0.10   0.37    -0.01   0.01  -0.03
    31   1    -0.18  -0.23   0.03    -0.22  -0.32   0.03     0.01   0.03  -0.00
    32   1     0.09  -0.01  -0.31    -0.03   0.00   0.12    -0.11   0.02   0.39
    33   1     0.23   0.23  -0.03    -0.08  -0.09   0.01    -0.30  -0.27   0.03
    34   1    -0.05   0.02   0.21     0.07  -0.01  -0.23     0.08  -0.02  -0.32
    35   1    -0.08   0.20   0.02     0.11  -0.22  -0.02     0.14  -0.31  -0.03
    36   1    -0.03  -0.05  -0.23     0.06   0.07   0.29    -0.05  -0.06  -0.28
    37   1     0.07  -0.23  -0.02    -0.06   0.30   0.02     0.07  -0.29  -0.02
                     82                     83                     84
                      A                      A                      A
 Frequencies --   3071.0024              3071.1302              3071.5942
 Red. masses --      1.0632                 1.0632                 1.0630
 Frc consts  --      5.9078                 5.9081                 5.9089
 IR Inten    --      5.9240                 5.1293                 5.3972
 RamAct Fr= 1--    195.1936               258.5908               249.3150
  Dep-P Fr= 1--      0.0454                 0.0344                 0.0362
  Dep-U Fr= 1--      0.0869                 0.0666                 0.0699
 Alpha2 Fr= 1--      3.8978                 5.3002                 5.0885
 Beta2  Fr= 1--      2.8274                 2.8688                 2.9048
 AlphaG Fr= 1--      0.1416                 0.1951                 0.1734
 Gamma2 Fr= 1--     10.6237                -0.3248                 1.7168
 Delta2 Fr= 1--      9.4716                 2.8782                 4.0967
 Raman1 Fr= 1--     780.774               1034.363                997.260
 ROA1   Fr= 1--    1322.961                 60.920                295.912
 CID1   Fr= 1--       1.694                  0.059                  0.297
 Raman2 Fr= 1--      33.929                 34.425                 34.858
 ROA2   Fr= 1--     179.195                -30.821                  8.431
 CID2   Fr= 1--       5.281                 -0.895                  0.242
 Raman3 Fr= 1--      67.858                 68.851                 69.715
 ROA3   Fr= 1--    1322.961                 60.920                295.912
 CID3   Fr= 1--      19.496                  0.885                  4.245
 RC180  Fr= 1--      -0.826                 -0.867                 -0.860
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.03  -0.02   0.03
     2   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.02  -0.03  -0.03
     3   7    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     4  45    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
     5   7     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
     6   7    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     7   6     0.00  -0.00   0.00     0.03  -0.02   0.03     0.00  -0.00   0.00
     8   6     0.00   0.00  -0.00     0.01   0.03  -0.03     0.00   0.00  -0.00
     9   7    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    10   7    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    11   6     0.03   0.00   0.03    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    12   6     0.00  -0.04  -0.04    -0.00   0.00   0.00    -0.00   0.00   0.00
    13   7     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    14   1    -0.03   0.01   0.01    -0.34   0.10   0.11    -0.01   0.00   0.00
    15   1     0.01  -0.04   0.02     0.16  -0.49   0.26     0.00  -0.01   0.01
    16   1    -0.02  -0.02  -0.01    -0.22  -0.30  -0.12    -0.00  -0.00  -0.00
    17   1    -0.01   0.04  -0.02    -0.18   0.51  -0.28    -0.00   0.01  -0.00
    18   1    -0.08   0.33  -0.11     0.01  -0.03   0.01     0.00  -0.00   0.00
    19   1    -0.34  -0.38  -0.26     0.03   0.03   0.02     0.00   0.00   0.00
    20   1    -0.38   0.04   0.12     0.03  -0.00  -0.01     0.01  -0.00  -0.00
    21   1     0.36   0.42   0.28    -0.03  -0.03  -0.02    -0.01  -0.01  -0.00
    22   1     0.00   0.00   0.00    -0.01  -0.01  -0.00     0.27   0.25   0.11
    23   1    -0.00   0.00   0.00     0.01  -0.00  -0.01    -0.51   0.11   0.27
    24   1    -0.00   0.01  -0.00     0.00  -0.01   0.00    -0.15   0.34  -0.12
    25   1     0.01  -0.00  -0.00    -0.01   0.00   0.00     0.52  -0.10  -0.27
    26   1    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.01   0.00  -0.00
    27   1    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    28   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.01   0.00   0.00
    29   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    30   1    -0.01  -0.01   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    31   1     0.00  -0.01  -0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    32   1     0.00   0.01  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    33   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    34   1     0.00  -0.00   0.00     0.00  -0.01  -0.00    -0.00  -0.00  -0.00
    35   1     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    36   1    -0.00   0.00   0.00    -0.01   0.01   0.00    -0.00  -0.00   0.00
    37   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
                     85                     86                     87
                      A                      A                      A
 Frequencies --   3076.0315              3076.1921              3076.4755
 Red. masses --      1.0604                 1.0604                 1.0604
 Frc consts  --      5.9113                 5.9121                 5.9131
 IR Inten    --      3.5265                11.1498                10.0478
 RamAct Fr= 1--     15.2225                70.7655                63.7740
  Dep-P Fr= 1--      0.6950                 0.7499                 0.7500
  Dep-U Fr= 1--      0.8201                 0.8571                 0.8571
 Alpha2 Fr= 1--      0.0146                 0.0001                 0.0000
 Beta2  Fr= 1--      2.0806                10.1086                 9.1105
 AlphaG Fr= 1--      0.0002                 0.0000                -0.0000
 Gamma2 Fr= 1--     -1.6104                -7.6843                -7.1066
 Delta2 Fr= 1--     -1.8311                -8.7850                -7.8629
 Raman1 Fr= 1--      60.890                283.062                255.096
 ROA1   Fr= 1--    -213.199              -1018.818               -933.851
 CID1   Fr= 1--      -3.501                 -3.599                 -3.661
 Raman2 Fr= 1--      24.968                121.303                109.326
 ROA2   Fr= 1--     -24.002               -114.144               -107.656
 CID2   Fr= 1--      -0.961                 -0.941                 -0.985
 Raman3 Fr= 1--      49.935                242.607                218.652
 ROA3   Fr= 1--    -213.199              -1018.818               -933.851
 CID3   Fr= 1--      -4.270                 -4.199                 -4.271
 RC180  Fr= 1--       0.640                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.01   0.01    -0.00  -0.00   0.00    -0.02  -0.03   0.03
     2   6    -0.00   0.01   0.01    -0.00   0.00   0.00    -0.01   0.04   0.03
     3   7     0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
     4  45     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
     5   7     0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
     6   7     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     7   6     0.02  -0.00   0.02     0.03  -0.00   0.03    -0.01   0.00  -0.01
     8   6    -0.01  -0.01   0.02    -0.02  -0.02   0.03     0.00   0.00  -0.01
     9   7    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    10   7    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    11   6     0.03  -0.01   0.03    -0.02   0.01  -0.02    -0.00   0.00  -0.00
    12   6    -0.01   0.03   0.03     0.01  -0.02  -0.02     0.00  -0.00  -0.00
    13   7    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    14   1     0.24  -0.07  -0.08     0.40  -0.12  -0.13    -0.08   0.02   0.02
    15   1    -0.07   0.22  -0.12    -0.12   0.36  -0.20     0.02  -0.07   0.04
    16   1    -0.15  -0.20  -0.07    -0.24  -0.32  -0.12     0.05   0.07   0.03
    17   1    -0.07   0.21  -0.11    -0.11   0.33  -0.18     0.02  -0.07   0.04
    18   1    -0.10   0.41  -0.13     0.06  -0.26   0.08     0.02  -0.07   0.02
    19   1    -0.25  -0.29  -0.20     0.16   0.18   0.13     0.04   0.05   0.03
    20   1     0.38  -0.04  -0.12    -0.25   0.03   0.08    -0.06   0.01   0.02
    21   1    -0.22  -0.26  -0.18     0.15   0.17   0.12     0.04   0.04   0.03
    22   1    -0.07  -0.07  -0.03    -0.02  -0.02  -0.01    -0.35  -0.33  -0.15
    23   1     0.09  -0.02  -0.05     0.03  -0.01  -0.01     0.42  -0.08  -0.22
    24   1    -0.04   0.09  -0.03    -0.02   0.03  -0.01    -0.19   0.43  -0.14
    25   1     0.09  -0.02  -0.05     0.03  -0.01  -0.02     0.41  -0.08  -0.22
    26   1    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    27   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.01
    28   1    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    29   1    -0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.01
    30   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    31   1    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    32   1    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    33   1     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    34   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    35   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    36   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    37   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
                     88                     89                     90
                      A                      A                      A
 Frequencies --   3116.6589              3116.7471              3116.9752
 Red. masses --      1.1078                 1.1079                 1.1080
 Frc consts  --      6.3401                 6.3408                 6.3426
 IR Inten    --     11.5299                10.4188                 1.2212
 RamAct Fr= 1--    140.5314               146.8801               195.5966
  Dep-P Fr= 1--      0.7332                 0.6155                 0.1269
  Dep-U Fr= 1--      0.8460                 0.7620                 0.2252
 Alpha2 Fr= 1--      0.0405                 0.3623                 3.2045
 Beta2  Fr= 1--     19.8158                18.6536                 7.3422
 AlphaG Fr= 1--     -0.0241                -0.2144                -1.9377
 Gamma2 Fr= 1--    -21.2709                -9.1874               103.9283
 Delta2 Fr= 1--    -35.3899               -25.0624                70.9574
 Raman1 Fr= 1--     562.126                587.520                782.386
 ROA1   Fr= 1--   -3174.482              -1683.986              12247.751
 CID1   Fr= 1--      -5.647                 -2.866                 15.654
 Raman2 Fr= 1--     237.790                223.843                 88.107
 ROA2   Fr= 1--    -227.382                -19.998               1926.619
 CID2   Fr= 1--      -0.956                 -0.089                 21.867
 Raman3 Fr= 1--     475.579                447.686                176.214
 ROA3   Fr= 1--   -3174.482              -1683.986              12247.751
 CID3   Fr= 1--      -6.675                 -3.762                 69.505
 RC180  Fr= 1--       0.692                  0.524                 -0.550
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.03  -0.03   0.00     0.04  -0.04   0.00
     2   6     0.01   0.00   0.00    -0.04  -0.02  -0.00    -0.05  -0.02  -0.00
     3   7    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     4  45     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00   0.00
     5   7     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     6   7     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     7   6    -0.01  -0.04  -0.00    -0.01  -0.05  -0.00     0.01   0.03   0.00
     8   6    -0.03   0.02   0.00    -0.04   0.03   0.00     0.02  -0.02  -0.00
     9   7     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    10   7    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    11   6     0.01   0.05  -0.00    -0.00  -0.03   0.00     0.00   0.03  -0.00
    12   6    -0.05  -0.01   0.00     0.03   0.01  -0.00    -0.03  -0.01   0.00
    13   7     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    14   1     0.30  -0.08  -0.10     0.38  -0.10  -0.13    -0.24   0.07   0.08
    15   1     0.05  -0.18   0.10     0.07  -0.22   0.12    -0.04   0.14  -0.08
    16   1     0.19   0.25   0.10     0.24   0.32   0.13    -0.15  -0.20  -0.08
    17   1    -0.06   0.17  -0.10    -0.08   0.22  -0.13     0.05  -0.14   0.08
    18   1     0.12  -0.45   0.15    -0.06   0.22  -0.08     0.05  -0.21   0.07
    19   1    -0.18  -0.20  -0.14     0.09   0.10   0.07    -0.09  -0.09  -0.07
    20   1     0.47  -0.06  -0.16    -0.23   0.03   0.08     0.22  -0.03  -0.07
    21   1     0.17   0.21   0.15    -0.09  -0.10  -0.07     0.08   0.10   0.07
    22   1    -0.03  -0.03  -0.02     0.23   0.23   0.11     0.32   0.32   0.15
    23   1    -0.03   0.01   0.02     0.19  -0.04  -0.10     0.26  -0.06  -0.14
    24   1     0.02  -0.05   0.02    -0.13   0.30  -0.11    -0.18   0.42  -0.15
    25   1     0.03  -0.01  -0.02    -0.19   0.03   0.10    -0.27   0.05   0.14
    26   1    -0.00   0.00   0.00     0.01  -0.00  -0.00     0.01  -0.01  -0.00
    27   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    28   1     0.00  -0.00  -0.00    -0.01  -0.00   0.00    -0.01  -0.00   0.00
    29   1     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    30   1    -0.01  -0.01  -0.00     0.01   0.00   0.00    -0.01  -0.00  -0.00
    31   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    32   1     0.01   0.01   0.00    -0.00  -0.01  -0.00     0.00   0.01   0.00
    33   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    34   1     0.00  -0.01   0.00    -0.00  -0.01   0.00     0.00   0.01  -0.00
    35   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    36   1    -0.01   0.01  -0.00    -0.01   0.01  -0.00     0.00  -0.00   0.00
    37   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
                     91                     92                     93
                      A                      A                      A
 Frequencies --   3127.2569              3127.3503              3127.6214
 Red. masses --      1.1101                 1.1102                 1.1101
 Frc consts  --      6.3967                 6.3972                 6.3980
 IR Inten    --      1.0789                 3.9465                 4.4449
 RamAct Fr= 1--     75.2657                48.2493                42.6118
  Dep-P Fr= 1--      0.7500                 0.7500                 0.7500
  Dep-U Fr= 1--      0.8571                 0.8571                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--     10.7522                 6.8927                 6.0874
 AlphaG Fr= 1--     -0.0000                -0.0000                -0.0000
 Gamma2 Fr= 1--    -50.6497               -32.4882               -28.8900
 Delta2 Fr= 1--     -6.1318                -3.9574                -3.5027
 Raman1 Fr= 1--     301.063                192.997                170.447
 ROA1   Fr= 1--   -5058.593              -3245.504              -2885.529
 CID1   Fr= 1--     -16.802                -16.816                -16.929
 Raman2 Fr= 1--     129.027                 82.713                 73.049
 ROA2   Fr= 1--   -1166.539               -748.057               -665.339
 CID2   Fr= 1--      -9.041                 -9.044                 -9.108
 Raman3 Fr= 1--     258.054                165.425                146.097
 ROA3   Fr= 1--   -5058.593              -3245.504              -2885.529
 CID3   Fr= 1--     -19.603                -19.619                -19.751
 RC180  Fr= 1--       0.714                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00    -0.01   0.01   0.00    -0.05   0.04   0.01
     2   6    -0.00  -0.00   0.00    -0.01  -0.00   0.00    -0.06  -0.02   0.01
     3   7     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     4  45    -0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
     5   7     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
     6   7    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
     7   6    -0.00  -0.02   0.00     0.01   0.06  -0.01    -0.00  -0.01   0.00
     8   6     0.02  -0.02   0.00    -0.05   0.04  -0.01     0.01  -0.01   0.00
     9   7    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    10   7     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    11   6    -0.02  -0.06  -0.01    -0.01  -0.02  -0.00     0.00   0.01   0.00
    12   6    -0.06  -0.02  -0.01    -0.02  -0.01  -0.00     0.01   0.00   0.00
    13   7     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    14   1    -0.16   0.04   0.05     0.42  -0.11  -0.14    -0.05   0.01   0.02
    15   1    -0.05   0.15  -0.08     0.13  -0.40   0.23    -0.02   0.05  -0.03
    16   1     0.10   0.13   0.05    -0.26  -0.34  -0.14     0.03   0.04   0.02
    17   1    -0.05   0.14  -0.08     0.14  -0.39   0.22    -0.02   0.05  -0.03
    18   1    -0.11   0.42  -0.15    -0.04   0.15  -0.05     0.01  -0.04   0.01
    19   1     0.28   0.31   0.23     0.10   0.11   0.08    -0.03  -0.03  -0.02
    20   1     0.43  -0.05  -0.14     0.15  -0.02  -0.05    -0.05   0.01   0.02
    21   1     0.26   0.32   0.22     0.09   0.11   0.08    -0.03  -0.03  -0.02
    22   1     0.02   0.01   0.01     0.05   0.05   0.02     0.32   0.32   0.15
    23   1     0.02  -0.00  -0.01     0.06  -0.01  -0.04     0.43  -0.10  -0.24
    24   1     0.01  -0.02   0.01     0.02  -0.06   0.02     0.18  -0.42   0.15
    25   1     0.02  -0.00  -0.01     0.06  -0.01  -0.03     0.43  -0.08  -0.24
    26   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.01   0.01   0.01
    27   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    28   1    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.02  -0.00   0.01
    29   1     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    30   1    -0.01  -0.01  -0.01    -0.01  -0.00  -0.00     0.00  -0.00   0.00
    31   1     0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
    32   1    -0.00  -0.02  -0.01    -0.00  -0.01  -0.00     0.00   0.00   0.00
    33   1    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    34   1     0.00  -0.01   0.00     0.00   0.02  -0.01    -0.00  -0.00   0.00
    35   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    36   1     0.00  -0.00   0.00    -0.01   0.01  -0.01     0.00  -0.00   0.00
    37   1    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
                     94                     95                     96
                      A                      A                      A
 Frequencies --   3431.9158              3432.0260              3433.1910
 Red. masses --      1.0523                 1.0523                 1.0528
 Frc consts  --      7.3022                 7.3027                 7.3109
 IR Inten    --     50.8998                48.8915                72.3742
 RamAct Fr= 1--     11.4007                10.5817                 8.9660
  Dep-P Fr= 1--      0.6792                 0.7475                 0.7500
  Dep-U Fr= 1--      0.8089                 0.8555                 0.8571
 Alpha2 Fr= 1--      0.0143                 0.0004                 0.0000
 Beta2  Fr= 1--      1.5371                 1.5088                 1.2809
 AlphaG Fr= 1--      0.0027                 0.0004                -0.0000
 Gamma2 Fr= 1--     13.5077                13.2784                -3.1448
 Delta2 Fr= 1--      0.8545                 0.3243                 0.2023
 Raman1 Fr= 1--      45.603                 42.327                 35.864
 ROA1   Fr= 1--    1324.080               1285.107               -295.430
 CID1   Fr= 1--      29.035                 30.361                 -8.237
 Raman2 Fr= 1--      18.445                 18.106                 15.370
 ROA2   Fr= 1--     317.348                316.088                -77.094
 CID2   Fr= 1--      17.205                 17.458                 -5.016
 Raman3 Fr= 1--      36.889                 36.212                 30.741
 ROA3   Fr= 1--    1324.080               1285.107               -295.430
 CID3   Fr= 1--      35.893                 35.488                 -9.610
 RC180  Fr= 1--       0.618                  0.711                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     2   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     3   7    -0.03   0.01  -0.02     0.00  -0.00   0.00    -0.03   0.01  -0.02
     4  45    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     5   7     0.00  -0.00   0.00    -0.03   0.00  -0.02    -0.02   0.00  -0.01
     6   7     0.01  -0.02  -0.02    -0.00   0.01   0.01    -0.00   0.00   0.00
     7   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
     8   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
     9   7    -0.00   0.01   0.01    -0.01   0.02   0.02     0.00  -0.00  -0.00
    10   7    -0.01  -0.01   0.01     0.02   0.02  -0.02     0.01   0.01  -0.01
    11   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    12   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    13   7    -0.01  -0.02   0.02    -0.01  -0.01   0.01     0.02   0.02  -0.02
    14   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    15   1     0.00  -0.00   0.00     0.00  -0.01   0.00    -0.00   0.00  -0.00
    16   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    17   1    -0.00   0.01  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    18   1    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    19   1     0.00   0.00   0.00    -0.01  -0.00  -0.00    -0.00  -0.00  -0.00
    20   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.01  -0.00   0.00
    21   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.01  -0.00
    22   1     0.00   0.00   0.00     0.00   0.00   0.00     0.01   0.00   0.00
    23   1     0.01  -0.00  -0.00    -0.00   0.00   0.00     0.01  -0.00  -0.00
    24   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    25   1    -0.00   0.00   0.00     0.01  -0.00  -0.00     0.00  -0.00  -0.00
    26   1    -0.05   0.02   0.01     0.41  -0.13  -0.08     0.26  -0.08  -0.05
    27   1     0.01  -0.01  -0.04    -0.05   0.07   0.37    -0.03   0.04   0.23
    28   1     0.46  -0.04  -0.09    -0.06   0.01   0.01     0.48  -0.04  -0.09
    29   1    -0.08  -0.05   0.41     0.01   0.01  -0.05    -0.08  -0.05   0.41
    30   1     0.24   0.22   0.06     0.21   0.19   0.05    -0.35  -0.32  -0.09
    31   1    -0.06  -0.01  -0.28    -0.05  -0.01  -0.25     0.09   0.01   0.40
    32   1     0.10   0.14   0.03    -0.22  -0.32  -0.07    -0.08  -0.11  -0.03
    33   1     0.00  -0.03  -0.15    -0.00   0.07   0.34    -0.00   0.02   0.11
    34   1    -0.08   0.35  -0.07     0.03  -0.15   0.03     0.01  -0.07   0.01
    35   1    -0.03  -0.06   0.31     0.01   0.03  -0.13     0.01   0.01  -0.07
    36   1     0.10  -0.22   0.05     0.14  -0.29   0.06    -0.02   0.05  -0.01
    37   1    -0.04   0.02  -0.22    -0.05   0.03  -0.28     0.01  -0.00   0.03
                     97                     98                     99
                      A                      A                      A
 Frequencies --   3433.3452              3433.4408              3435.2884
 Red. masses --      1.0530                 1.0528                 1.0527
 Frc consts  --      7.3130                 7.3126                 7.3198
 IR Inten    --     16.8195                53.0647                 0.1413
 RamAct Fr= 1--     17.8308                11.9538               469.8453
  Dep-P Fr= 1--      0.7431                 0.7177                 0.0035
  Dep-U Fr= 1--      0.8526                 0.8357                 0.0070
 Alpha2 Fr= 1--      0.0021                 0.0067                10.3558
 Beta2  Fr= 1--      2.5339                 1.6649                 0.5475
 AlphaG Fr= 1--      0.0003                 0.0021                 2.7868
 Gamma2 Fr= 1--     -6.6549                -4.6376               -13.7666
 Delta2 Fr= 1--      0.0673                -0.1345                -1.1654
 Raman1 Fr= 1--      71.323                 47.815               1879.381
 ROA1   Fr= 1--    -636.717               -449.517              -1358.890
 CID1   Fr= 1--      -8.927                 -9.401                 -0.723
 Raman2 Fr= 1--      30.407                 19.979                  6.570
 ROA2   Fr= 1--    -160.255               -110.227               -321.076
 CID2   Fr= 1--      -5.270                 -5.517                -48.868
 Raman3 Fr= 1--      60.813                 39.957                 13.141
 ROA3   Fr= 1--    -636.717               -449.517              -1358.890
 CID3   Fr= 1--     -10.470                -11.250               -103.411
 RC180  Fr= 1--       0.705                  0.671                 -0.986
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     2   6     0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
     3   7    -0.00   0.00  -0.00     0.01  -0.00   0.01     0.02  -0.00   0.01
     4  45     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     5   7    -0.03   0.00  -0.02     0.00  -0.00   0.00    -0.02   0.00  -0.01
     6   7     0.00  -0.00  -0.00     0.01  -0.03  -0.03     0.01  -0.02  -0.01
     7   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     8   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     9   7     0.01  -0.03  -0.02     0.00  -0.01  -0.01    -0.01   0.02   0.02
    10   7    -0.01  -0.01   0.01     0.02   0.02  -0.02    -0.01  -0.01   0.01
    11   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    12   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
    13   7    -0.01  -0.01   0.01     0.00   0.00  -0.00     0.01   0.01  -0.01
    14   1    -0.01   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    15   1    -0.00   0.01  -0.00    -0.00   0.00  -0.00     0.00  -0.01   0.00
    16   1     0.00   0.00   0.00     0.00   0.01   0.00     0.00   0.00   0.00
    17   1     0.00  -0.00   0.00    -0.00   0.01  -0.00    -0.00   0.00  -0.00
    18   1    -0.00   0.00  -0.00     0.00  -0.01   0.00     0.00   0.00  -0.00
    19   1     0.00   0.00   0.00    -0.01  -0.01  -0.00     0.00   0.00   0.00
    20   1     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    21   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    22   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    23   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    24   1     0.00  -0.01   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    25   1     0.01  -0.00  -0.00    -0.00  -0.00  -0.00     0.01  -0.00  -0.00
    26   1     0.43  -0.14  -0.08    -0.01   0.00   0.00     0.29  -0.09  -0.06
    27   1    -0.05   0.07   0.38     0.00  -0.00  -0.02    -0.03   0.04   0.25
    28   1     0.01  -0.00  -0.00    -0.10   0.01   0.02    -0.29   0.02   0.05
    29   1    -0.00  -0.00   0.01     0.02   0.01  -0.10     0.04   0.03  -0.24
    30   1     0.17   0.16   0.04    -0.05  -0.04  -0.01    -0.22  -0.20  -0.06
    31   1    -0.04  -0.00  -0.21     0.01   0.00   0.04     0.05   0.01   0.24
    32   1     0.14   0.20   0.05    -0.25  -0.36  -0.08     0.18   0.26   0.06
    33   1     0.00  -0.05  -0.22    -0.00   0.08   0.37     0.00  -0.06  -0.26
    34   1    -0.01   0.05  -0.01    -0.12   0.54  -0.10    -0.07   0.30  -0.06
    35   1    -0.00  -0.01   0.04    -0.04  -0.09   0.46    -0.02  -0.05   0.25
    36   1    -0.20   0.43  -0.09    -0.09   0.20  -0.04     0.14  -0.30   0.06
    37   1     0.08  -0.04   0.41     0.04  -0.02   0.18    -0.05   0.03  -0.27
                    100                    101                    102
                      A                      A                      A
 Frequencies --   3480.5121              3480.6768              3481.2609
 Red. masses --      1.0928                 1.0928                 1.0928
 Frc consts  --      7.8000                 7.8001                 7.8028
 IR Inten    --      5.8664                11.4175                17.3769
 RamAct Fr= 1--      4.6507                 2.1230                12.4864
  Dep-P Fr= 1--      0.7492                 0.7497                 0.7486
  Dep-U Fr= 1--      0.8566                 0.8569                 0.8562
 Alpha2 Fr= 1--      0.0001                 0.0000                 0.0003
 Beta2  Fr= 1--      0.6640                 0.3032                 1.7819
 AlphaG Fr= 1--     -0.0004                -0.0000                -0.0020
 Gamma2 Fr= 1--     -8.8530                -4.9529                -1.6492
 Delta2 Fr= 1--      0.7389                -0.2073                13.3286
 Raman1 Fr= 1--      18.603                  8.492                 49.946
 ROA1   Fr= 1--    -826.245               -482.110                268.191
 CID1   Fr= 1--     -44.415                -56.772                  5.370
 Raman2 Fr= 1--       7.968                  3.639                 21.382
 ROA2   Fr= 1--    -218.383               -117.211               -146.210
 CID2   Fr= 1--     -27.409                -32.213                 -6.838
 Raman3 Fr= 1--      15.935                  7.277                 42.765
 ROA3   Fr= 1--    -826.245               -482.110                268.191
 CID3   Fr= 1--     -51.850                -66.249                  6.271
 RC180  Fr= 1--       0.713                  0.714                  0.712
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     2   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     3   7     0.03   0.00  -0.04    -0.02  -0.00   0.02    -0.03  -0.00   0.03
     4  45    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     5   7    -0.02   0.01   0.02    -0.02   0.01   0.03    -0.01   0.01   0.02
     6   7     0.00  -0.01   0.01    -0.00   0.02  -0.03     0.00  -0.02   0.02
     7   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     8   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     9   7     0.01  -0.02   0.03     0.01  -0.01   0.02    -0.01   0.02  -0.02
    10   7     0.00   0.00   0.01    -0.01  -0.03  -0.03     0.00   0.00   0.00
    11   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    12   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    13   7    -0.02  -0.02  -0.03     0.00   0.00   0.00    -0.03  -0.02  -0.04
    14   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    15   1    -0.00   0.01  -0.00    -0.00   0.01  -0.00     0.00  -0.01   0.00
    16   1    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    17   1    -0.00   0.00  -0.00     0.00  -0.01   0.00    -0.00   0.00  -0.00
    18   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    19   1    -0.00  -0.00  -0.00     0.01   0.01   0.01     0.00   0.00   0.00
    20   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    21   1     0.01   0.01   0.01    -0.00  -0.00  -0.00     0.01   0.01   0.01
    22   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    23   1    -0.01   0.00   0.01     0.01  -0.00  -0.00     0.01  -0.00  -0.01
    24   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    25   1     0.01  -0.00  -0.00     0.01  -0.00  -0.01     0.01  -0.00  -0.00
    26   1     0.23  -0.07  -0.03     0.31  -0.10  -0.05     0.19  -0.06  -0.03
    27   1     0.02  -0.04  -0.28     0.03  -0.06  -0.38     0.02  -0.03  -0.22
    28   1    -0.40   0.03   0.06     0.20  -0.02  -0.03     0.32  -0.03  -0.05
    29   1    -0.06  -0.05   0.45     0.03   0.03  -0.23     0.05   0.04  -0.36
    30   1     0.25   0.23   0.05    -0.02  -0.02  -0.00     0.31   0.28   0.06
    31   1     0.07  -0.00   0.39    -0.01   0.00  -0.03     0.08  -0.00   0.47
    32   1    -0.03  -0.05  -0.01     0.21   0.30   0.05    -0.01  -0.01  -0.00
    33   1     0.00  -0.01  -0.07    -0.01   0.07   0.42     0.00  -0.00  -0.01
    34   1    -0.02   0.08  -0.01     0.06  -0.29   0.04    -0.04   0.18  -0.03
    35   1     0.01   0.01  -0.10    -0.03  -0.05   0.34     0.02   0.03  -0.22
    36   1    -0.12   0.26  -0.04    -0.09   0.19  -0.03     0.12  -0.25   0.04
    37   1    -0.05   0.02  -0.32    -0.04   0.01  -0.24     0.05  -0.02   0.30
                    103                    104                    105
                      A                      A                      A
 Frequencies --   3481.4209              3482.6859              3483.3025
 Red. masses --      1.0927                 1.0926                 1.0920
 Frc consts  --      7.8030                 7.8077                 7.8068
 IR Inten    --     22.6433               144.8284                 0.2839
 RamAct Fr= 1--     10.0340                 0.2628               145.5285
  Dep-P Fr= 1--      0.7497                 0.6187                 0.6981
  Dep-U Fr= 1--      0.8569                 0.7644                 0.8222
 Alpha2 Fr= 1--      0.0001                 0.0006                 0.1319
 Beta2  Fr= 1--      1.4331                 0.0335                19.9418
 AlphaG Fr= 1--     -0.0007                -0.0015                -0.6923
 Gamma2 Fr= 1--      1.9161                 0.0545                25.0331
 Delta2 Fr= 1--     12.4344                -0.0316               -32.9975
 Raman1 Fr= 1--      40.136                  1.051                582.114
 ROA1   Fr= 1--     581.847                  4.219               1347.260
 CID1   Fr= 1--      14.497                  4.014                  2.314
 Raman2 Fr= 1--      17.197                  0.402                239.301
 ROA2   Fr= 1--     -53.489                  1.561                864.775
 CID2   Fr= 1--      -3.110                  3.885                  3.614
 Raman3 Fr= 1--      34.394                  0.804                478.602
 ROA3   Fr= 1--     581.847                  4.219               1347.260
 CID3   Fr= 1--      16.917                  5.251                  2.815
 RC180  Fr= 1--       0.714                  0.529                  0.644
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     2   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     3   7    -0.01  -0.00   0.01     0.02   0.00  -0.02     0.02   0.00  -0.02
     4  45    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
     5   7     0.02  -0.01  -0.03     0.02  -0.01  -0.02    -0.02   0.01   0.02
     6   7     0.00  -0.03   0.03    -0.00   0.02  -0.03     0.00  -0.02   0.03
     7   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     8   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     9   7     0.01  -0.02   0.02    -0.01   0.02  -0.03    -0.01   0.02  -0.03
    10   7    -0.01  -0.03  -0.03    -0.01  -0.02  -0.03    -0.01  -0.02  -0.03
    11   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    12   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    13   7    -0.01  -0.00  -0.01    -0.02  -0.01  -0.03     0.02   0.01   0.02
    14   1    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    15   1    -0.00   0.01  -0.00     0.00  -0.01   0.00     0.00  -0.01   0.00
    16   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    17   1    -0.00   0.01  -0.01     0.00  -0.01   0.01    -0.00   0.01  -0.00
    18   1    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    19   1     0.01   0.01   0.01     0.01   0.00   0.00     0.01   0.01   0.00
    20   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    21   1     0.00   0.00   0.00     0.00   0.01   0.00    -0.00  -0.00  -0.00
    22   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    23   1     0.00  -0.00  -0.00    -0.01   0.00   0.00    -0.01   0.00   0.00
    24   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    25   1    -0.01   0.00   0.00    -0.01   0.00   0.00     0.01  -0.00  -0.00
    26   1    -0.30   0.10   0.04    -0.22   0.07   0.03     0.22  -0.07  -0.03
    27   1    -0.03   0.05   0.36    -0.02   0.05   0.29     0.02  -0.04  -0.28
    28   1     0.10  -0.01  -0.01    -0.22   0.02   0.03    -0.23   0.02   0.03
    29   1     0.01   0.01  -0.11    -0.04  -0.03   0.26    -0.04  -0.03   0.28
    30   1     0.07   0.07   0.01     0.19   0.17   0.03    -0.17  -0.15  -0.03
    31   1     0.02  -0.00   0.11     0.05  -0.00   0.31    -0.05   0.00  -0.28
    32   1     0.20   0.29   0.05     0.15   0.21   0.04     0.16   0.23   0.04
    33   1    -0.01   0.07   0.40    -0.01   0.05   0.31    -0.01   0.06   0.34
    34   1    -0.07   0.33  -0.05     0.06  -0.29   0.04    -0.06   0.26  -0.04
    35   1     0.04   0.06  -0.38    -0.03  -0.05   0.37     0.03   0.05  -0.33
    36   1    -0.11   0.24  -0.04     0.11  -0.24   0.04     0.12  -0.25   0.04
    37   1    -0.05   0.02  -0.30     0.05  -0.02   0.31     0.05  -0.02   0.34

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  7 and mass  14.00307
 Atom     4 has atomic number 45 and mass 102.90480
 Atom     5 has atomic number  7 and mass  14.00307
 Atom     6 has atomic number  7 and mass  14.00307
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  7 and mass  14.00307
 Atom    10 has atomic number  7 and mass  14.00307
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  6 and mass  12.00000
 Atom    13 has atomic number  7 and mass  14.00307
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Atom    25 has atomic number  1 and mass   1.00783
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Atom    28 has atomic number  1 and mass   1.00783
 Atom    29 has atomic number  1 and mass   1.00783
 Atom    30 has atomic number  1 and mass   1.00783
 Atom    31 has atomic number  1 and mass   1.00783
 Atom    32 has atomic number  1 and mass   1.00783
 Atom    33 has atomic number  1 and mass   1.00783
 Atom    34 has atomic number  1 and mass   1.00783
 Atom    35 has atomic number  1 and mass   1.00783
 Atom    36 has atomic number  1 and mass   1.00783
 Atom    37 has atomic number  1 and mass   1.00783
 Molecular mass:   283.11104 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  2615.131202615.504363783.53931
           X            0.99999   0.00483  -0.00000
           Y           -0.00483   0.99999  -0.00000
           Z            0.00000   0.00000   1.00000
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.03312     0.03312     0.02289
 Rotational constants (GHZ):           0.69011     0.69002     0.47700
 Zero-point vibrational energy     925907.1 (Joules/Mol)
                                  221.29712 (Kcal/Mol)
 Warning -- explicit consideration of  24 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    114.10   118.20   128.94   209.26   210.18
          (Kelvin)            240.74   313.12   316.45   324.91   362.40
                              416.54   417.44   448.76   477.78   478.85
                              578.84   579.97   580.63   664.81   665.82
                              727.66   752.77   803.41   804.57   972.86
                              973.22  1027.22  1079.69  1079.91  1097.59
                             1245.36  1245.43  1248.00  1252.85  1255.61
                             1255.78  1413.26  1414.68  1414.99  1434.21
                             1434.86  1452.72  1507.14  1507.27  1511.86
                             1594.83  1608.13  1609.00  1685.92  1686.46
                             1716.53  1763.58  1764.16  1794.26  1857.63
                             1857.67  1864.70  1916.23  1916.56  1930.01
                             1936.97  1940.13  1940.20  2020.80  2022.24
                             2022.50  2076.36  2076.80  2081.31  2162.01
                             2162.37  2162.52  2162.94  2163.31  2163.86
                             2365.02  2384.34  2385.20  2387.58  2399.19
                             2400.00  4418.49  4418.67  4419.34  4425.72
                             4425.95  4426.36  4484.18  4484.30  4484.63
                             4499.43  4499.56  4499.95  4937.76  4937.92
                             4939.60  4939.82  4939.96  4942.61  5007.68
                             5007.92  5008.76  5008.99  5010.81  5011.70
 
 Zero-point correction=                           0.352659 (Hartree/Particle)
 Thermal correction to Energy=                    0.367690
 Thermal correction to Enthalpy=                  0.368634
 Thermal correction to Gibbs Free Energy=         0.312034
 Sum of electronic and zero-point Energies=           -681.282277
 Sum of electronic and thermal Energies=              -681.267247
 Sum of electronic and thermal Enthalpies=            -681.266303
 Sum of electronic and thermal Free Energies=         -681.322903
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  230.729             60.543            119.125
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             42.820
 Rotational               0.889              2.981             31.626
 Vibrational            228.951             54.582             44.679
 Vibration     1          0.600              1.963              3.908
 Vibration     2          0.600              1.961              3.839
 Vibration     3          0.602              1.957              3.668
 Vibration     4          0.617              1.908              2.731
 Vibration     5          0.617              1.907              2.723
 Vibration     6          0.624              1.883              2.465
 Vibration     7          0.646              1.814              1.979
 Vibration     8          0.647              1.811              1.960
 Vibration     9          0.650              1.802              1.912
 Vibration    10          0.664              1.760              1.717
 Vibration    11          0.686              1.693              1.477
 Vibration    12          0.686              1.692              1.473
 Vibration    13          0.700              1.651              1.352
 Vibration    14          0.714              1.611              1.250
 Vibration    15          0.715              1.610              1.246
 Vibration    16          0.768              1.465              0.954
 Vibration    17          0.768              1.463              0.951
 Vibration    18          0.769              1.462              0.950
 Vibration    19          0.820              1.334              0.760
 Vibration    20          0.820              1.333              0.758
 Vibration    21          0.861              1.237              0.644
 Vibration    22          0.878              1.199              0.603
 Vibration    23          0.914              1.121              0.527
 Vibration    24          0.915              1.120              0.525
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.298277-143       -143.525381       -330.479402
 Total V=0       0.485893D+19         18.686540         43.027349
 Vib (Bot)       0.874804-158       -158.058089       -363.942200
 Vib (Bot)    1  0.259709D+01          0.414487          0.954391
 Vib (Bot)    2  0.250608D+01          0.398995          0.918721
 Vib (Bot)    3  0.229433D+01          0.360656          0.830441
 Vib (Bot)    4  0.139595D+01          0.144871          0.333577
 Vib (Bot)    5  0.138956D+01          0.142877          0.328988
 Vib (Bot)    6  0.120546D+01          0.081151          0.186857
 Vib (Bot)    7  0.909797D+00         -0.041056         -0.094534
 Vib (Bot)    8  0.899361D+00         -0.046066         -0.106071
 Vib (Bot)    9  0.873766D+00         -0.058605         -0.134943
 Vib (Bot)   10  0.774156D+00         -0.111172         -0.255982
 Vib (Bot)   11  0.660713D+00         -0.179987         -0.414435
 Vib (Bot)   12  0.659060D+00         -0.181075         -0.416941
 Vib (Bot)   13  0.605579D+00         -0.217829         -0.501570
 Vib (Bot)   14  0.561943D+00         -0.250308         -0.576356
 Vib (Bot)   15  0.560430D+00         -0.251479         -0.579051
 Vib (Bot)   16  0.442279D+00         -0.354303         -0.815814
 Vib (Bot)   17  0.441159D+00         -0.355405         -0.818349
 Vib (Bot)   18  0.440512D+00         -0.356042         -0.819817
 Vib (Bot)   19  0.367474D+00         -0.434773         -1.001102
 Vib (Bot)   20  0.366702D+00         -0.435687         -1.003207
 Vib (Bot)   21  0.323308D+00         -0.490384         -1.129150
 Vib (Bot)   22  0.307608D+00         -0.512003         -1.178930
 Vib (Bot)   23  0.278770D+00         -0.554754         -1.277369
 Vib (Bot)   24  0.278152D+00         -0.555717         -1.279586
 Vib (V=0)       0.142506D+05          4.153832          9.564552
 Vib (V=0)    1  0.314478D+01          0.497590          1.145744
 Vib (V=0)    2  0.305548D+01          0.485079          1.116935
 Vib (V=0)    3  0.284818D+01          0.454567          1.046680
 Vib (V=0)    4  0.198280D+01          0.297278          0.684508
 Vib (V=0)    5  0.197678D+01          0.295958          0.681469
 Vib (V=0)    6  0.180504D+01          0.256486          0.590581
 Vib (V=0)    7  0.153814D+01          0.186995          0.430572
 Vib (V=0)    8  0.152900D+01          0.184409          0.424617
 Vib (V=0)    9  0.150671D+01          0.178030          0.409929
 Vib (V=0)   10  0.142158D+01          0.152773          0.351772
 Vib (V=0)   11  0.132858D+01          0.123387          0.284109
 Vib (V=0)   12  0.132726D+01          0.122956          0.283117
 Vib (V=0)   13  0.128532D+01          0.109011          0.251007
 Vib (V=0)   14  0.125218D+01          0.097668          0.224889
 Vib (V=0)   15  0.125105D+01          0.097276          0.223986
 Vib (V=0)   16  0.116754D+01          0.067272          0.154900
 Vib (V=0)   17  0.116680D+01          0.066996          0.154264
 Vib (V=0)   18  0.116637D+01          0.066837          0.153898
 Vib (V=0)   19  0.112051D+01          0.049417          0.113787
 Vib (V=0)   20  0.112006D+01          0.049240          0.113379
 Vib (V=0)   21  0.109542D+01          0.039582          0.091140
 Vib (V=0)   22  0.108705D+01          0.036248          0.083463
 Vib (V=0)   23  0.107246D+01          0.030382          0.069957
 Vib (V=0)   24  0.107216D+01          0.030260          0.069677
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.187236D+09          8.272389         19.047880
 Rotational      0.182104D+07          6.260319         14.414918
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000006233    0.000003792    0.000013588
      2        6           0.000003663   -0.000022719    0.000009299
      3        7           0.000016343   -0.000009128    0.000049379
      4       45           0.000039110   -0.000051583   -0.000155007
      5        7           0.000040785   -0.000006110    0.000005553
      6        7           0.000004408    0.000051506    0.000029114
      7        6           0.000003792    0.000000458    0.000019055
      8        6          -0.000007472    0.000016456   -0.000001446
      9        7          -0.000023816    0.000059023    0.000043525
     10        7          -0.000003878   -0.000037462    0.000058952
     11        6          -0.000027452   -0.000006994    0.000040184
     12        6          -0.000019286   -0.000022559    0.000041811
     13        7           0.000004558   -0.000033502   -0.000013665
     14        1          -0.000000986   -0.000000830   -0.000001116
     15        1          -0.000024741    0.000020333   -0.000000892
     16        1           0.000000146   -0.000002592   -0.000000369
     17        1          -0.000018254   -0.000012697   -0.000008347
     18        1           0.000001830    0.000002303    0.000003182
     19        1          -0.000011340   -0.000020433   -0.000006881
     20        1           0.000000357    0.000001881    0.000002761
     21        1           0.000023155    0.000011700    0.000010013
     22        1          -0.000003201    0.000002074   -0.000005230
     23        1          -0.000000702   -0.000007617   -0.000018032
     24        1          -0.000001547   -0.000001040   -0.000004740
     25        1           0.000002588    0.000020177   -0.000002535
     26        1           0.000026413   -0.000010103   -0.000020290
     27        1           0.000002919   -0.000003638   -0.000010193
     28        1          -0.000023652   -0.000015070   -0.000019364
     29        1          -0.000005767    0.000006730   -0.000015040
     30        1          -0.000001896    0.000002553   -0.000010133
     31        1           0.000001823   -0.000023410    0.000004615
     32        1          -0.000015722    0.000029103   -0.000023818
     33        1           0.000003312   -0.000000904    0.000007734
     34        1          -0.000004599   -0.000001203    0.000008627
     35        1          -0.000001175    0.000026598   -0.000005987
     36        1           0.000008166    0.000046545   -0.000024386
     37        1           0.000005884   -0.000011638    0.000000077
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000155007 RMS     0.000024744
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.154245D+03 -0.280236D-02 -0.343580D-03
      2  -0.280236D-02  0.154242D+03 -0.299058D-02
      3  -0.343580D-03 -0.299058D-02  0.126796D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.335709D+01  0.395042D-01 -0.669582D-02
      2  -0.160560D-01 -0.334430D+01  0.389288D-02
      3  -0.701776D-02 -0.114950D-01 -0.173371D+00
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.595928D+02  0.891272D+02  0.936672D-02
      2  -0.596087D+02 -0.891248D+02 -0.166888D-01
      3   0.158580D-01 -0.238712D-02  0.732205D-02
      4   0.891087D+02 -0.596343D+02  0.265861D-02
      5  -0.156206D-01  0.517662D+01  0.414550D-02
      6  -0.517131D+01 -0.366763D-01 -0.133017D-01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=   111 ND12= 1 LenFil=    3999:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.290789D+01 -0.947501D+00 -0.261895D+01 -0.118116D+01 -0.292665D+01
      2  -0.947501D+00 -0.480835D+01  0.110891D+01 -0.292665D+01  0.771525D+01
      3  -0.261895D+01  0.110891D+01  0.816546D+00  0.390547D+00 -0.400209D+01
                 6             7             8             9            10 
      1   0.390547D+00 -0.193582D+01  0.732777D+00  0.981978D+00 -0.141981D+01
      2  -0.400209D+01  0.732777D+00 -0.261072D+01  0.957291D+00  0.389852D+01
      3   0.796524D+00  0.981978D+00  0.957291D+00  0.422735D+00  0.335487D+01
                11            12            13            14            15 
      1   0.389852D+01  0.335487D+01  0.295973D+01  0.403179D+01  0.664589D+00
      2   0.567494D+01  0.138174D+01  0.403179D+01  0.233402D+01  0.326946D+01
      3   0.138174D+01 -0.446279D+00  0.664589D+00  0.326946D+01  0.105273D+01
                16            17            18            19            20 
      1   0.255614D+01  0.760677D+00 -0.538798D+00  0.791338D+00 -0.227181D+01
      2   0.760677D+00  0.199599D+01  0.126613D+01 -0.227181D+01 -0.267311D+01
      3  -0.538798D+00  0.126613D+01 -0.422669D+00 -0.189964D+01 -0.887875D+00
                21            22            23            24            25 
      1  -0.189964D+01 -0.386436D+01 -0.562047D+01 -0.231884D+01 -0.243803D+01
      2  -0.887875D+00 -0.562047D+01 -0.705012D+01 -0.479793D+01 -0.144364D+01
      3  -0.110540D+01 -0.231884D+01 -0.479793D+01 -0.215881D+01 -0.152792D+01
                26            27            28            29            30 
      1  -0.144364D+01 -0.152792D+01 -0.127272D+01 -0.188813D+01 -0.194070D-02
      2  -0.281453D+01 -0.185563D+01 -0.188813D+01  0.123794D+01 -0.194011D+01
      3  -0.185563D+01  0.165597D+01 -0.194070D-02 -0.194011D+01 -0.580422D-02
                31            32            33            34            35 
      1  -0.190924D+01  0.127203D+01  0.195859D+01  0.200226D-01 -0.823727D-02
      2   0.127203D+01  0.191366D+01 -0.101610D-01 -0.823727D-02  0.199794D-01
      3   0.195859D+01 -0.101610D-01  0.358239D-02  0.330091D-04 -0.140448D-02
                36            37            38            39            40 
      1   0.330091D-04 -0.188383D+01  0.734873D+00  0.118933D+01  0.402567D+00
      2  -0.140448D-02  0.734873D+00 -0.556732D+00  0.607797D+00  0.277499D+01
      3   0.690848D-02  0.118933D+01  0.607797D+00  0.194284D+00 -0.825993D+00
                41            42            43            44            45 
      1   0.277499D+01 -0.825993D+00  0.146809D+01 -0.890581D+00  0.701023D+00
      2  -0.112017D+02  0.551225D+01 -0.890581D+00  0.376743D+01 -0.229672D+01
      3   0.551225D+01 -0.241177D+01  0.701023D+00 -0.229672D+01 -0.165990D+01
                46            47            48            49            50 
      1   0.523581D+01  0.543839D+01  0.433477D+01  0.274340D+01  0.338780D+01
      2   0.543839D+01  0.534504D+01  0.263811D+01  0.338780D+01  0.553302D+00
      3   0.433477D+01  0.263811D+01  0.199190D+01  0.121108D+01  0.235899D+01
                51            52            53            54            55 
      1   0.121108D+01  0.243468D+01  0.144239D+01  0.164203D+01 -0.702942D+00
      2   0.235899D+01  0.144239D+01  0.282034D+01  0.176238D+01 -0.316213D+01
      3   0.138302D+01  0.164203D+01  0.176238D+01 -0.165247D+01 -0.300439D+01
                56            57            58            59            60 
      1  -0.316213D+01 -0.300439D+01 -0.467597D+01 -0.514130D+01 -0.133527D+01
      2  -0.399417D+01 -0.614316D+00 -0.514130D+01 -0.230509D+00 -0.361427D+01
      3  -0.614316D+00 -0.109821D+01 -0.133527D+01 -0.361427D+01  0.303800D+00
                61            62            63            64            65 
      1  -0.180513D+01 -0.659805D+00 -0.132368D+01 -0.881916D+01  0.141697D+01
      2  -0.659805D+00 -0.273892D+01  0.368173D+00  0.141697D+01  0.210267D+01
      3  -0.132368D+01  0.368173D+00  0.422461D+00  0.417500D+01 -0.188062D+00
                66            67            68            69            70 
      1   0.417500D+01  0.331621D+01  0.211639D+01 -0.908030D+00  0.279022D+01
      2  -0.188062D+00  0.211639D+01 -0.227305D+01  0.244631D+01 -0.623359D+00
      3  -0.688382D+00 -0.908030D+00  0.244631D+01 -0.909954D+00 -0.826132D+00
                71            72            73            74            75 
      1  -0.623359D+00 -0.826132D+00  0.115283D+02 -0.105193D+01 -0.547008D+01
      2   0.175718D+01 -0.109848D+01 -0.105193D+01 -0.112201D+01  0.256287D+00
      3  -0.109848D+01 -0.423753D+00 -0.547008D+01  0.256287D+00  0.242821D+01
                76            77            78            79            80 
      1   0.227650D+01 -0.103498D+01 -0.116831D+01 -0.396396D+01  0.563165D+00
      2  -0.103498D+01  0.152370D+01 -0.123225D+01  0.563165D+00 -0.128032D+01
      3  -0.116831D+01 -0.123225D+01  0.111847D+00  0.237318D+01 -0.396060D+00
                81            82            83            84            85 
      1   0.237318D+01 -0.126958D+01  0.230981D+01 -0.268595D+01  0.571472D+00
      2  -0.396060D+00  0.230981D+01 -0.722625D+01  0.276812D+01 -0.438772D+01
      3   0.165790D+01 -0.268595D+01  0.276812D+01 -0.131647D+01  0.134340D+01
                86            87            88            89            90 
      1  -0.438772D+01  0.134340D+01 -0.147543D+01  0.882198D+00 -0.846952D+00
      2   0.654297D+01 -0.401695D+01  0.882198D+00 -0.379770D+01  0.224738D+01
      3  -0.401695D+01  0.203636D+01 -0.846952D+00  0.224738D+01  0.165846D+01
                91            92            93            94            95 
      1  -0.112405D+01  0.988379D+00  0.240566D+01  0.389026D-01  0.522668D+01
      2   0.988379D+00  0.359918D+01 -0.119546D+00  0.522668D+01 -0.637870D+01
      3   0.240566D+01 -0.119546D+00  0.114118D+01 -0.834778D+00  0.422024D+01
                96            97            98            99           100 
      1  -0.834778D+00  0.147369D+01 -0.133708D+00  0.136651D+01  0.797424D+01
      2   0.422024D+01 -0.133708D+00  0.307032D+01 -0.160042D+00 -0.396531D+01
      3  -0.136362D+00  0.136651D+01 -0.160042D+00 -0.427586D+00 -0.430492D+01
               101           102           103           104           105 
      1  -0.396531D+01 -0.430492D+01 -0.221841D+01 -0.211237D+01 -0.139933D+00
      2  -0.138079D+01  0.582247D+00 -0.211237D+01  0.601588D+00 -0.230991D+01
      3   0.582247D+00  0.281273D+00 -0.139933D+00 -0.230991D+01 -0.110429D+01
               106           107           108           109           110 
      1  -0.307615D+01 -0.779154D-01  0.342193D+00 -0.850329D+01  0.361719D+01
      2  -0.779154D-01 -0.146306D+01 -0.133322D+01  0.361719D+01  0.381176D+00
      3   0.342193D+00 -0.133322D+01  0.424832D+00  0.452637D+01 -0.110656D+01
               111           112           113           114           115 
      1   0.452637D+01  0.667074D+01 -0.100292D+01 -0.253756D+01  0.394924D+01
      2  -0.110656D+01 -0.100292D+01  0.838481D+00  0.217502D+01 -0.544316D+00
      3  -0.218970D+01 -0.253756D+01  0.217502D+01  0.103402D+01 -0.234360D+01
               116           117           118           119           120 
      1  -0.544316D+00 -0.234360D+01  0.118821D+02  0.186537D+00 -0.321919D+01
      2   0.125892D+01  0.540113D+00  0.186537D+00  0.970163D+00 -0.235625D-02
      3   0.540113D+00 -0.166172D+01 -0.321919D+01 -0.235625D-02  0.210037D+01
               121           122           123           124           125 
      1  -0.243084D+01  0.115826D+01  0.911807D+00 -0.326985D+01 -0.284035D-01
      2   0.115826D+01  0.154933D+00 -0.755527D+00 -0.284035D-01 -0.470677D+00
      3   0.911807D+00 -0.755527D+00 -0.262258D+00  0.260964D+01  0.198827D+00
               126           127           128           129           130 
      1   0.260964D+01  0.216701D+00  0.651215D+00 -0.936949D+00  0.111192D+01
      2   0.198827D+00  0.651215D+00 -0.687251D+00  0.228952D+00  0.503808D+00
      3  -0.154365D+01 -0.936949D+00  0.228952D+00 -0.332161D+00 -0.197907D+00
               131           132           133           134           135 
      1   0.503808D+00 -0.197907D+00 -0.136868D+01 -0.389553D+00  0.439071D+00
      2   0.472029D+01 -0.222044D+01 -0.389553D+00 -0.181900D+01  0.172767D+01
      3  -0.222044D+01  0.231380D+01  0.439071D+00  0.172767D+01 -0.221263D+01
               136           137           138           139           140 
      1   0.614529D+01  0.319877D+01  0.186583D+01  0.516280D+01  0.440683D+01
      2   0.319877D+01  0.266383D+01  0.849729D+00  0.440683D+01  0.446730D+01
      3   0.186583D+01  0.849729D+00  0.150564D+01  0.176405D+01  0.210656D+01
               141           142           143           144           145 
      1   0.176405D+01  0.225877D+01  0.134294D+01  0.219037D+01  0.220864D+01
      2   0.210656D+01  0.134294D+01  0.147872D+01  0.142996D+01 -0.925486D+00
      3   0.148607D+01  0.219037D+01  0.142996D+01  0.154291D+01  0.139998D+01
               146           147           148           149           150 
      1  -0.925486D+00  0.139998D+01 -0.201918D+01  0.165029D+01 -0.829220D+00
      2   0.990881D+00 -0.401394D+00  0.165029D+01 -0.289445D+01  0.176000D+01
      3  -0.401394D+00  0.114865D+01 -0.829220D+00  0.176000D+01 -0.203679D+01
               151           152           153           154           155 
      1   0.191544D+01 -0.318156D+00  0.140047D+01 -0.237773D+01  0.194607D+01
      2  -0.318156D+00  0.127695D+01 -0.110353D+01  0.194607D+01 -0.208628D+01
      3   0.140047D+01 -0.110353D+01  0.221150D+01 -0.978939D+00  0.383929D+00
               156           157           158           159           160 
      1  -0.978939D+00  0.309014D+01 -0.444632D+01  0.129772D+01 -0.119543D+01
      2   0.383929D+00 -0.444632D+01  0.918346D+01 -0.299823D+01  0.122632D+01
      3  -0.824187D+00  0.129772D+01 -0.299823D+01  0.195008D+01 -0.147795D+01
               161           162           163           164           165 
      1   0.122632D+01 -0.147795D+01 -0.373777D+01 -0.774474D+00 -0.188710D+01
      2  -0.254533D+01  0.216078D+01 -0.774474D+00 -0.108464D+01 -0.349815D+00
      3   0.216078D+01 -0.154463D+01 -0.188710D+01 -0.349815D+00 -0.184015D+01
               166           167           168           169           170 
      1  -0.203167D+01 -0.128106D+01 -0.776521D+00 -0.204614D+01  0.225635D-03
      2  -0.128106D+01 -0.127989D+01 -0.127516D+01  0.225635D-03 -0.114728D+01
      3  -0.776521D+00 -0.127516D+01 -0.144426D+01 -0.171725D+01 -0.484655D+00
               171           172           173           174           175 
      1  -0.171725D+01 -0.104786D+02  0.371975D+01  0.317678D+01  0.122577D+01
      2  -0.484655D+00  0.371975D+01 -0.226541D+01 -0.100513D+01 -0.143608D+01
      3  -0.221672D+01  0.317678D+01 -0.100513D+01 -0.203846D+01 -0.903372D-01
               176           177           178           179           180 
      1  -0.143608D+01 -0.903372D-01  0.283715D+01 -0.100813D+01 -0.233350D+01
      2   0.158123D+01  0.792670D+00 -0.100813D+01  0.899416D+00  0.118131D+01
      3   0.792670D+00  0.560708D+00 -0.233350D+01  0.118131D+01  0.154088D+01
               181           182           183           184           185 
      1   0.828819D+00  0.107570D+01  0.113578D+01  0.105981D+01  0.542749D+00
      2   0.107570D+01  0.182309D+01  0.677507D+00  0.542749D+00  0.418097D+01
      3   0.113578D+01  0.677507D+00  0.118857D+01  0.248774D+00  0.202381D+01
               186           187           188           189           190 
      1   0.248774D+00  0.116462D+01 -0.119472D+00  0.254636D+00 -0.306505D+01
      2   0.202381D+01 -0.119472D+00  0.203597D+01  0.176467D+01 -0.378771D+01
      3   0.201479D+01  0.254636D+00  0.176467D+01  0.221395D+01 -0.176622D+01
               191           192           193           194           195 
      1  -0.378771D+01 -0.176622D+01 -0.231595D+01 -0.316202D+01 -0.837810D+00
      2  -0.533289D+01 -0.175162D+01 -0.316202D+01 -0.767597D+01 -0.221011D+01
      3  -0.175162D+01 -0.127833D+01 -0.837810D+00 -0.221011D+01 -0.168852D+01
               196           197           198           199           200 
      1  -0.114633D+01 -0.119826D+01 -0.113298D+01  0.344305D+01 -0.160260D+01
      2  -0.119826D+01 -0.259455D+01 -0.235933D+01 -0.160260D+01  0.184755D+01
      3  -0.113298D+01 -0.235933D+01 -0.154405D+01 -0.191389D+01  0.761736D+00
               201           202           203           204           205 
      1  -0.191389D+01 -0.804182D+00  0.848509D+00  0.333942D+00 -0.137149D+01
      2   0.761736D+00  0.848509D+00 -0.171022D+01 -0.124501D+01  0.389256D+00
      3   0.217019D+01  0.333942D+00 -0.124501D+01 -0.870957D+00  0.127699D+01
               206           207           208           209           210 
      1   0.389256D+00  0.127699D+01  0.331800D+00 -0.160135D+01  0.913920D+00
      2  -0.182341D+01 -0.124556D+01 -0.160135D+01  0.360144D+01 -0.121361D+01
      3  -0.124556D+01 -0.221579D+01  0.913920D+00 -0.121361D+01  0.533001D+00
               211           212           213           214           215 
      1  -0.107398D+01  0.102990D+01 -0.300201D+00  0.510405D+00 -0.333428D+00
      2   0.102990D+01 -0.113755D+02  0.305699D+01 -0.333428D+00  0.322664D+01
      3  -0.300201D+00  0.305699D+01 -0.204579D+01  0.142713D+00 -0.261088D+01
               216           217           218           219           220 
      1   0.142713D+00 -0.460616D+01 -0.880967D+00  0.220402D+01  0.235271D+00
      2  -0.261088D+01 -0.880967D+00 -0.125433D+01  0.365552D+00 -0.635909D+00
      3   0.154087D+01  0.220402D+01  0.365552D+00 -0.233947D+01 -0.621180D-01
               221           222           223           224           225 
      1  -0.635909D+00 -0.621180D-01  0.171555D+01  0.436689D+00 -0.165645D+01
      2  -0.553849D+00  0.957254D+00  0.436689D+00  0.148668D+01 -0.661461D+00
      3   0.957254D+00  0.237391D-01 -0.165645D+01 -0.661461D+00  0.221471D+01
               226           227           228           229           230 
      1   0.522547D+01 -0.178638D+01  0.820143D+00 -0.191616D+01  0.103754D+01
      2  -0.178638D+01  0.336235D+01 -0.126200D+01  0.103754D+01 -0.448017D+00
      3   0.820143D+00 -0.126200D+01  0.133264D+01 -0.176244D+00 -0.573354D+00
               231           232           233           234           235 
      1  -0.176244D+00  0.409299D-01  0.102068D+00  0.603155D+00  0.653250D+00
      2  -0.573354D+00  0.102068D+00 -0.195498D+01  0.470868D+00 -0.400681D+00
      3  -0.906619D-01  0.603155D+00  0.470868D+00  0.243987D+00  0.711317D+00
               236           237           238           239           240 
      1  -0.400681D+00  0.711317D+00 -0.490180D+00 -0.461209D+00  0.232586D+00
      2  -0.980685D+00  0.306915D+00 -0.461209D+00  0.134411D+01 -0.150307D+00
      3   0.306915D+00 -0.192631D+00  0.232586D+00 -0.150307D+00  0.676617D+00
               241           242           243           244           245 
      1   0.952575D+00 -0.823230D-01  0.991768D+00 -0.667348D+01 -0.632757D+00
      2  -0.823230D-01  0.201757D+01 -0.121692D+01 -0.632757D+00 -0.216804D+01
      3   0.991768D+00 -0.121692D+01  0.731286D+01 -0.112076D+01 -0.555735D+00
               246           247           248           249           250 
      1  -0.112076D+01  0.131692D+00  0.353249D-01  0.528803D+00  0.328665D+00
      2  -0.555735D+00  0.353249D-01  0.977291D+00  0.879313D+00  0.780895D+00
      3  -0.126506D+01  0.528803D+00  0.879313D+00  0.429552D+00 -0.374946D+00
               251           252           253           254           255 
      1   0.780895D+00 -0.374946D+00 -0.606532D+00  0.644439D+00 -0.393880D+00
      2   0.159478D+01  0.667659D+00  0.644439D+00  0.123067D+01  0.532072D+00
      3   0.667659D+00 -0.238050D+00 -0.393880D+00  0.532072D+00  0.434066D+00
               256           257           258           259           260 
      1   0.362536D+00  0.786720D+00  0.458204D+00 -0.116765D+01 -0.435275D+00
      2   0.786720D+00  0.294074D+00 -0.166538D+00 -0.435275D+00 -0.180197D+01
      3   0.458204D+00 -0.166538D+00  0.551368D+00 -0.138555D+01 -0.742882D+00
               261           262           263           264           265 
      1  -0.138555D+01 -0.416320D+01 -0.184771D+01  0.398293D+00 -0.380119D+01
      2  -0.742882D+00 -0.184771D+01 -0.216579D+01  0.420332D+00 -0.892554D+00
      3  -0.731238D+01  0.398293D+00  0.420332D+00 -0.743389D+00  0.150717D+01
               266           267           268           269           270 
      1  -0.892554D+00  0.150717D+01 -0.154824D+01  0.814851D+00  0.106120D+00
      2  -0.247182D+01 -0.148731D+00  0.814851D+00 -0.372903D+00 -0.757409D+00
      3  -0.148731D+00 -0.111155D+01  0.106120D+00 -0.757409D+00  0.242547D+00
               271           272           273           274           275 
      1   0.122224D+01 -0.941292D+00 -0.169930D+00 -0.444809D+00 -0.505389D+00
      2  -0.941292D+00 -0.322663D+00  0.276061D+00 -0.505389D+00  0.305153D+00
      3  -0.169930D+00  0.276061D+00  0.685461D+00  0.201080D+00  0.729069D+00
               276           277           278           279           280 
      1   0.201080D+00  0.182292D+01 -0.418444D+00 -0.154726D+01  0.200680D+01
      2   0.729069D+00 -0.418444D+00  0.114675D+01 -0.247597D+00  0.485158D+00
      3  -0.170158D+00 -0.154726D+01 -0.247597D+00  0.731292D+01  0.390449D+00
               281           282           283           284           285 
      1   0.485158D+00  0.390449D+00  0.199740D+01  0.160675D+01 -0.315102D+00
      2   0.337296D+01 -0.139876D+01  0.160675D+01  0.509503D+01 -0.630485D+00
      3  -0.139876D+01  0.100394D+01 -0.315102D+00 -0.630485D+00  0.878664D+00
               286           287           288           289           290 
      1   0.601742D+00 -0.937821D+00  0.765399D+00 -0.422031D+00  0.242757D+00
      2  -0.937821D+00  0.132612D+01 -0.854602D-02  0.242757D+00  0.687719D+00
      3   0.765399D+00 -0.854602D-02 -0.238509D+00 -0.653325D+00 -0.310044D+00
               291           292           293           294           295 
      1  -0.653325D+00 -0.775334D-03  0.114978D+01 -0.382961D+00 -0.126646D+01
      2  -0.310044D+00  0.114978D+01 -0.865727D+00  0.886404D-01  0.491890D+00
      3   0.264313D+00 -0.382961D+00  0.886404D-01 -0.646792D+00  0.511408D-01
               296           297           298           299           300 
      1   0.491890D+00  0.511408D-01 -0.122067D+01 -0.142897D+00 -0.846034D+00
      2  -0.170530D+01  0.157471D+01 -0.142897D+00 -0.103866D+01 -0.788470D+00
      3   0.157471D+01 -0.731231D+01 -0.846034D+00 -0.788470D+00 -0.590799D+00
               301           302           303           304           305 
      1   0.193201D+01  0.162863D-01  0.298954D+00 -0.137029D+01 -0.917646D+00
      2   0.162863D-01  0.667790D+01  0.109721D+01 -0.917646D+00 -0.542771D+00
      3   0.298954D+00  0.109721D+01  0.119913D+01 -0.709141D+00  0.285290D+00
               306           307           308           309           310 
      1  -0.709141D+00  0.355543D-01 -0.633501D+00  0.297381D+00 -0.104229D+01
      2   0.285290D+00 -0.633501D+00 -0.616732D+00 -0.470994D+00 -0.952022D+00
      3   0.242757D+00  0.297381D+00 -0.470994D+00 -0.491349D+00 -0.546432D+00
               311           312           313           314           315 
      1  -0.952022D+00 -0.546432D+00  0.167819D+01  0.501136D+00  0.557340D+00
      2   0.326676D+00  0.260371D+00  0.501136D+00  0.129010D+01  0.146173D+01
      3   0.260371D+00 -0.511137D+00  0.557340D+00  0.146173D+01  0.731289D+01
               316           317           318           319           320 
      1   0.123326D+01 -0.143877D+01  0.366329D+00 -0.372195D+01  0.179404D+01
      2  -0.143877D+01  0.222817D+01  0.331008D+00  0.179404D+01 -0.448034D+01
      3   0.366329D+00  0.331008D+00  0.261399D+00  0.141756D+01 -0.611384D+00
               321           322           323           324           325 
      1   0.141756D+01  0.194651D+01  0.157669D+00 -0.388690D+00 -0.152390D+01
      2  -0.611384D+00  0.157669D+00 -0.366317D-01 -0.659674D+00  0.128834D+00
      3  -0.130883D+01 -0.388690D+00 -0.659674D+00 -0.242444D+00  0.205874D+00
               326           327           328           329           330 
      1   0.128834D+00  0.205874D+00  0.653440D+00  0.622504D+00 -0.185297D+00
      2   0.645003D+00 -0.110610D+00  0.622504D+00 -0.441565D+00 -0.765295D+00
      3  -0.110610D+00 -0.695406D+00 -0.185297D+00 -0.765295D+00  0.102485D+00
               331           332           333 
      1  -0.202046D+01 -0.566780D-01  0.133503D+01
      2  -0.566780D-01 -0.949811D+00 -0.824959D+00
      3   0.133503D+01 -0.824959D+00 -0.731279D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.111009D+02 -0.567070D+01  0.532045D+01 -0.515053D+01  0.609744D+00
      2   0.250293D+00  0.246048D+01  0.333933D+01  0.162219D+01  0.176562D+01
      3  -0.925077D+01  0.162708D+01  0.941959D+01  0.594282D+01  0.682879D+01
                 6             7             8             9            10 
      1  -0.909603D+01 -0.228690D+00 -0.227470D+01 -0.140378D+00  0.476226D+01
      2   0.102826D+01  0.430591D+00 -0.484596D+00 -0.410537D+00 -0.303618D+01
      3   0.157871D+01  0.101458D+02  0.174115D+01 -0.327273D+01  0.958306D+01
                11            12            13            14            15 
      1  -0.807812D+01 -0.673725D+01 -0.730201D+01  0.572837D+01 -0.674672D+01
      2   0.192570D+01  0.570673D+01  0.248842D+01  0.868385D+00  0.368585D+00
      3  -0.516697D+01 -0.810063D+01 -0.812105D+00 -0.714860D+01  0.506487D+01
                16            17            18            19            20 
      1  -0.391026D+00 -0.191152D+01 -0.408377D-01  0.451309D+00 -0.126470D+01
      2   0.799660D+00  0.109418D+01 -0.435631D+00  0.188164D+02  0.132751D+02
      3  -0.870758D+01  0.548530D+01  0.327686D+01 -0.209753D+02 -0.171818D+02
                21            22            23            24            25 
      1   0.318216D+01 -0.821181D+00 -0.142849D+02  0.223543D+01  0.110060D+02
      2   0.868201D+01  0.417911D+01 -0.530024D+00 -0.302025D+01 -0.970222D+01
      3  -0.849681D+01  0.674160D+00  0.130768D+02  0.187201D+01 -0.301750D+01
                26            27            28            29            30 
      1   0.180805D+02  0.179833D+02  0.208922D+01  0.331708D+01  0.753451D-01
      2  -0.114982D+02 -0.161493D+02  0.294946D+01 -0.207320D+01 -0.140182D+01
      3   0.260651D+01 -0.787507D+00 -0.111516D+00  0.350716D+00 -0.333448D-01
                31            32            33            34            35 
      1   0.298741D+01 -0.214073D+01  0.141704D+01  0.161125D+00  0.480916D+00
      2  -0.205925D+01 -0.318189D+01  0.110492D+00 -0.217279D+00 -0.114479D-01
      3  -0.428351D+00 -0.216586D-01  0.178250D+00  0.889834D-01  0.987135D-01
                36            37            38            39            40 
      1  -0.906550D-01  0.464501D+01 -0.276913D+01  0.155073D+01  0.105946D+01
      2  -0.214350D+00  0.871678D+01 -0.178275D+02  0.926819D+01 -0.960622D+01
      3  -0.116814D+00  0.101628D+02 -0.268143D+02  0.857661D+01 -0.898155D+01
                41            42            43            44            45 
      1   0.150210D+02  0.289847D+01 -0.477653D+01  0.248683D+02 -0.228344D+02
      2   0.293706D+01 -0.176863D+01 -0.298000D+01  0.522232D+01 -0.798282D+01
      3  -0.212677D+01 -0.154203D+01  0.379420D+01  0.123340D+01  0.817749D+00
                46            47            48            49            50 
      1   0.607040D+00 -0.172861D+01  0.429488D+01 -0.107853D+02 -0.205472D+02
      2   0.139608D+02  0.252667D+01 -0.122935D+01  0.169811D+01 -0.266814D+01
      3  -0.145684D+02 -0.536448D+01 -0.296720D+01  0.125402D+02  0.224774D+02
                51            52            53            54            55 
      1  -0.772034D+01  0.122174D+02  0.127807D+02  0.183316D+02  0.772737D+00
      2  -0.445390D+01 -0.151525D+02 -0.117505D+02 -0.157435D+02 -0.764475D+01
      3   0.819688D+01 -0.292640D+01  0.265074D+01  0.796198D+00  0.608078D+01
                56            57            58            59            60 
      1  -0.380389D+01 -0.396102D+00 -0.334366D+01  0.272646D+01 -0.663867D+01
      2   0.646749D+01  0.579569D+01  0.732091D+01 -0.243833D+01  0.674596D+01
      3   0.290952D+01 -0.607089D+01  0.725555D+01 -0.850811D+01  0.735920D+01
                61            62            63            64            65 
      1  -0.121545D+01 -0.997405D+00  0.424429D+00 -0.948637D+00 -0.218033D+01
      2   0.168722D+01  0.505817D+00  0.100893D+00 -0.193160D+01  0.318959D+01
      3  -0.657949D+01  0.790593D+01 -0.327769D+01 -0.554228D+01 -0.790709D+01
                66            67            68            69            70 
      1  -0.183826D+01 -0.308323D+01 -0.238829D+01 -0.289171D+01  0.228639D+00
      2   0.954191D+01  0.360742D+01  0.120709D+02 -0.450507D+01  0.227683D+01
      3  -0.343523D+00 -0.356102D+01  0.799815D+01 -0.953066D+01 -0.410834D+00
                71            72            73            74            75 
      1  -0.433854D+00  0.396412D+00 -0.449039D+01  0.101155D+02  0.318162D+01
      2   0.458534D+00  0.181580D+00 -0.157883D+02 -0.108799D+01 -0.222678D+01
      3  -0.102761D+02  0.329359D+01 -0.252872D+01  0.995983D+01  0.255878D+01
                76            77            78            79            80 
      1   0.178007D+02 -0.435479D+01 -0.863575D+01 -0.219674D+01  0.202140D+01
      2   0.365588D+01 -0.518677D+01 -0.312716D+01 -0.258474D+02  0.164096D+01
      3   0.277826D+02 -0.526067D+01 -0.833626D+01 -0.710725D+00 -0.398555D+01
                81            82            83            84            85 
      1   0.504272D+01  0.204751D+01  0.396304D+01 -0.616096D+01 -0.399356D+01
      2   0.237050D+02  0.100319D+02 -0.100915D+02  0.318758D+01 -0.587068D+01
      3  -0.752723D+00  0.117431D+02 -0.194839D+02  0.589043D+01 -0.167380D+01
                86            87            88            89            90 
      1   0.207333D+02 -0.325165D+01 -0.953003D+01  0.215799D+02 -0.229661D+02
      2  -0.721478D+01  0.631260D+01 -0.627764D+01  0.906470D+01 -0.749568D+01
      3  -0.195933D+02  0.640422D+01  0.372669D+01  0.132234D+01 -0.808482D+00
                91            92            93            94            95 
      1  -0.779538D+01 -0.420226D+01 -0.957398D+00 -0.408951D+01  0.705794D+00
      2  -0.946003D+01 -0.113558D+01  0.340569D+01 -0.207408D+01  0.154430D+01
      3  -0.357677D+00  0.651855D+01  0.844291D+01  0.108887D+02  0.285446D+01
                96            97            98            99           100 
      1  -0.905089D+01  0.118157D+01 -0.172126D+01 -0.353681D+00 -0.153064D+01
      2  -0.542648D+01  0.955502D+00 -0.503037D+00  0.268067D+00 -0.186884D+01
      3   0.446054D+01  0.909432D+01  0.480476D+01  0.330360D+01 -0.482668D+00
               101           102           103           104           105 
      1   0.212368D+00  0.461076D+01 -0.775634D+00  0.849114D+01 -0.289728D+01
      2   0.289695D+01  0.953310D+01  0.285373D+01  0.993097D+01  0.177247D+01
      3  -0.110271D+02 -0.332285D+01 -0.670465D+01 -0.197117D+01 -0.893109D+01
               106           107           108           109           110 
      1   0.396549D+00 -0.775541D+00 -0.313921D+00  0.746870D+01  0.757796D+01
      2   0.194184D+01 -0.108161D+01  0.301487D+00 -0.195512D+02  0.258480D+01
      3  -0.353547D+01 -0.966459D+01 -0.329801D+01  0.164015D+02  0.536447D+01
               111           112           113           114           115 
      1  -0.620498D+01  0.128607D+02 -0.728240D+01 -0.485821D+01 -0.681841D+01
      2   0.160005D+01 -0.477351D+01 -0.331417D+01  0.596582D+01 -0.237721D+02
      3  -0.562162D+01  0.233038D+02 -0.845590D+01 -0.674656D+01 -0.941090D+00
               116           117           118           119           120 
      1   0.414856D+01  0.454654D+01  0.113866D+01 -0.161819D+01 -0.181542D+01
      2   0.727847D+01  0.238694D+02  0.295441D+01  0.954827D+00  0.546706D+01
      3  -0.397282D+01  0.823337D+00  0.688428D+01 -0.544100D+01 -0.285137D+01
               121           122           123           124           125 
      1  -0.262422D+00  0.107167D+01 -0.309840D+00 -0.129168D+01  0.138557D+01
      2  -0.341498D+01 -0.187101D+01  0.599447D+00  0.264554D+01 -0.341263D+00
      3  -0.218939D+01  0.177126D+01  0.245869D+01 -0.726408D+00  0.298372D+01
               126           127           128           129           130 
      1   0.773262D+00  0.718818D+00  0.102619D+01  0.738585D+00 -0.166295D+00
      2  -0.258854D+01 -0.439827D+01  0.146202D+01 -0.229052D+01  0.841643D+00
      3   0.102042D+01 -0.338337D+01  0.335833D+01 -0.194863D+01  0.259414D+01
               131           132           133           134           135 
      1  -0.309314D+01 -0.186865D+01 -0.881211D-01  0.113179D+01  0.862530D+00
      2  -0.679998D+01  0.761486D+01 -0.198850D+01  0.543470D+01 -0.638143D+01
      3  -0.150811D+02  0.712141D+01 -0.455027D+00  0.574524D+01 -0.580407D+01
               136           137           138           139           140 
      1   0.152519D+00  0.103950D+01 -0.156802D+01  0.262691D+01  0.226521D+01
      2   0.141843D+00  0.211807D+00  0.472066D+01 -0.408155D+01  0.344299D+00
      3  -0.131446D+01 -0.508703D+01 -0.767556D+00 -0.184068D+01 -0.736394D+01
               141           142           143           144           145 
      1  -0.105402D+01 -0.100321D+01  0.353022D+00 -0.957667D+00 -0.275548D+01
      2   0.278622D+01  0.160946D+01  0.264185D+01  0.252133D+01  0.313452D+01
      3  -0.368839D+01  0.123345D+01 -0.281132D+01 -0.102561D+01  0.482755D+01
               146           147           148           149           150 
      1   0.125831D+01 -0.126861D+01  0.256000D+01 -0.593081D+01  0.299491D+01
      2   0.241210D+00  0.258507D+01  0.488774D+00  0.430049D+01 -0.707655D+01
      3  -0.453645D+01  0.278943D+01 -0.526938D+01  0.136165D+02 -0.684092D+01
               151           152           153           154           155 
      1  -0.153916D+01  0.412131D+01 -0.319480D+01  0.135454D+01 -0.490759D+00
      2   0.100713D+01 -0.380293D+01  0.558556D+01  0.109444D+01 -0.550608D+00
      3   0.312674D+01 -0.485191D+01  0.579989D+01 -0.259982D+00 -0.192242D+01
               156           157           158           159           160 
      1   0.222612D+01  0.261105D+01 -0.340507D+01 -0.313093D+01  0.117024D+01
      2   0.264208D+01  0.280673D+01  0.262665D+00 -0.344275D+01  0.344022D-01
      3  -0.705228D+00  0.133077D+01  0.889688D+01 -0.369564D+01 -0.222220D+01
               161           162           163           164           165 
      1  -0.123199D+01  0.185940D+01  0.539470D+01  0.178587D+01  0.409747D+01
      2  -0.280243D+01  0.196780D+01  0.107144D+01 -0.448160D+00  0.381877D+01
      3  -0.212168D+01  0.102057D+01 -0.957564D+01 -0.619607D+01 -0.519453D+01
               166           167           168           169           170 
      1   0.290101D+01  0.548340D+01  0.423470D+01  0.368777D+01  0.417572D+01
      2  -0.116213D+01  0.246682D+01  0.425155D+01  0.104554D+01  0.166659D+01
      3  -0.693061D+01 -0.886368D+01 -0.524943D+01 -0.475311D+01 -0.327606D+01
               171           172           173           174           175 
      1   0.510735D+01 -0.461405D+00 -0.237530D+01  0.328129D+01  0.555609D+00
      2   0.395159D+01  0.357592D+01 -0.228894D+01  0.385498D+01  0.123695D+01
      3  -0.581102D+01 -0.885211D+01 -0.251416D+01  0.357509D+01  0.738555D+00
               176           177           178           179           180 
      1  -0.116573D+01 -0.192136D+01  0.257643D+01  0.459135D+00 -0.169776D+01
      2  -0.172121D+01 -0.207078D+01  0.171489D+01 -0.940647D+00 -0.208398D+01
      3   0.171666D+00  0.117598D+01  0.181475D+01  0.247607D+01 -0.102220D+01
               181           182           183           184           185 
      1  -0.198669D+01  0.130760D+01 -0.319940D+01  0.445846D+00 -0.818759D-01
      2  -0.519789D+01 -0.269661D+01 -0.411292D+01 -0.169045D+01 -0.606387D+01
      3   0.718122D+01  0.663985D+01  0.453159D+01  0.592343D+01  0.112731D+02
               186           187           188           189           190 
      1  -0.372051D+01 -0.102432D+01 -0.688434D+00 -0.325393D+01 -0.604892D+00
      2  -0.514583D+01 -0.382315D+01 -0.432629D+01 -0.556820D+01 -0.184968D+01
      3   0.584278D+01  0.264350D+01  0.514226D+01  0.580395D+01  0.635685D+01
               191           192           193           194           195 
      1   0.432559D+01 -0.223967D+01 -0.138329D+00  0.441081D+00 -0.522355D+01
      2  -0.229084D+01  0.553528D+00 -0.127982D+01 -0.607917D+00  0.102168D+01
      3   0.249323D+01  0.355612D+01  0.574536D+01  0.229864D+01  0.124011D+01
               196           197           198           199           200 
      1  -0.232535D+01 -0.204507D+01 -0.262605D+01 -0.499072D+01 -0.350442D+00
      2  -0.789418D+00  0.692096D+00  0.622670D+00  0.579821D+01 -0.213651D+01
      3   0.294776D+01 -0.862012D+00  0.102072D+01 -0.147537D+02  0.394515D+01
               201           202           203           204           205 
      1   0.770097D+01 -0.286500D+00 -0.353412D+01 -0.173355D+01  0.442640D+01
      2  -0.215401D+01 -0.800433D+00  0.188365D+01  0.653224D+00 -0.374185D+01
      3   0.714657D+01  0.320062D+01 -0.372091D+01 -0.187291D+01  0.521358D+01
               206           207           208           209           210 
      1  -0.612596D+00 -0.597226D+01  0.162916D+01  0.393633D+01  0.108878D+00
      2   0.923586D+00  0.244279D+01 -0.111305D+01  0.757539D+00  0.865399D-01
      3  -0.247785D+01 -0.580489D+01 -0.285051D+01  0.272085D+01 -0.280695D+01
               211           212           213           214           215 
      1  -0.575978D+00 -0.242375D+01 -0.568760D+01  0.878813D+00 -0.269909D+01
      2   0.153241D+01 -0.121895D+01  0.110703D+01 -0.143940D+01  0.757838D+00
      3   0.597514D+01 -0.582013D+01  0.250581D+01 -0.305143D+01  0.333012D+00
               216           217           218           219           220 
      1   0.265916D+01  0.660597D+01 -0.587258D+00 -0.805195D+01 -0.102299D+01
      2  -0.430008D+00  0.404160D+01  0.598965D+00  0.922110D+00 -0.645512D+00
      3  -0.102084D+01  0.156828D+02 -0.100905D+01 -0.732405D+01 -0.170822D+01
               221           222           223           224           225 
      1   0.418364D+01  0.131081D+01 -0.546025D+01  0.127475D+01  0.645583D+01
      2  -0.218055D+00 -0.298150D+00 -0.186799D+01  0.103966D+00 -0.396400D-01
      3   0.277464D+01  0.999099D+00 -0.578105D+01 -0.270892D+00  0.580962D+01
               226           227           228           229           230 
      1  -0.472238D+00  0.372422D+01  0.884080D+00  0.114355D+01  0.574551D+00
      2  -0.896934D+01  0.348927D+01 -0.208145D+00  0.122801D+01 -0.401262D+00
      3  -0.118762D+02  0.135705D+01 -0.194183D+01  0.194923D+01 -0.945760D+00
               231           232           233           234           235 
      1  -0.182274D+01  0.186574D+01 -0.246841D+01  0.767968D+00  0.179760D+01
      2  -0.577585D+00  0.139699D+01 -0.184115D+01 -0.322611D+00  0.275391D-01
      3  -0.392520D+00  0.180687D+01 -0.672004D-02 -0.650702D+00 -0.556922D+00
               236           237           238           239           240 
      1  -0.315441D+00 -0.379606D+00  0.121482D+01  0.906599D+00  0.293024D+01
      2   0.529992D+00 -0.124661D+01  0.168749D+00 -0.187551D+01  0.155505D+01
      3  -0.189342D+00 -0.180031D+01  0.373988D+00 -0.171840D+01 -0.152887D+00
               241           242           243           244           245 
      1   0.275713D+01  0.845716D+00  0.153806D+02 -0.171974D+01  0.257002D+01
      2  -0.154649D+01 -0.146866D+01  0.431968D+01 -0.942489D+01 -0.855948D+00
      3  -0.195284D+01 -0.192925D+01 -0.168010D+01  0.114193D+02 -0.299246D+01
               246           247           248           249           250 
      1  -0.135991D+01  0.101621D+01 -0.192797D+01 -0.986833D+00 -0.170598D+01
      2   0.554016D+00  0.229783D+01  0.814201D+00  0.106445D+01  0.287226D+01
      3   0.168089D+01 -0.242775D+01  0.136820D+01 -0.110089D+01 -0.169171D+01
               251           252           253           254           255 
      1  -0.973516D+00 -0.813656D+00 -0.141787D+01 -0.534435D+00  0.687362D+00
      2   0.167464D+01 -0.170841D-01  0.436382D-01 -0.985240D+00 -0.217305D+01
      3   0.693503D+00  0.660202D+00  0.813415D+00  0.193976D+00  0.159835D+01
               256           257           258           259           260 
      1   0.101165D+01 -0.171089D+01  0.199366D+01 -0.239203D+01  0.246499D+01
      2  -0.120025D+01 -0.737087D+00 -0.187594D+01  0.867069D-01  0.109084D+01
      3   0.755579D+00  0.145617D+01 -0.832199D+00  0.105629D+01 -0.253950D+01
               261           262           263           264           265 
      1  -0.125496D+02 -0.309584D+01 -0.302541D+01  0.705962D+00 -0.373347D+01
      2   0.986042D+01  0.386156D+01  0.213684D+01  0.187570D+01  0.556171D+01
      3   0.169293D+01 -0.515231D+01 -0.579890D+01  0.692637D+00 -0.525693D+01
               266           267           268           269           270 
      1  -0.509334D+01  0.355575D+00 -0.441579D+00 -0.323280D-01 -0.659788D+00
      2   0.731506D+00 -0.365209D+00  0.377371D+01  0.500779D+00 -0.471311D+00
      3  -0.774862D+01  0.188763D+01 -0.904584D+00 -0.159575D+01 -0.674224D+00
               271           272           273           274           275 
      1  -0.181900D+01  0.102203D+01  0.349486D+00 -0.573580D-01 -0.110470D+01
      2   0.195339D+00  0.827065D-01 -0.335351D+01 -0.102368D+01 -0.162235D+01
      3  -0.149774D+01  0.165635D+00  0.765939D+00  0.733938D+00 -0.776368D+00
               276           277           278           279           280 
      1   0.823637D+00 -0.133405D+00  0.321056D+01 -0.395439D+01 -0.341189D+00
      2   0.830442D+00  0.809134D+00  0.142144D+01 -0.154639D+02  0.414500D+01
      3   0.162924D+01 -0.706609D+00  0.265173D+01 -0.167424D+01  0.621401D+01
               281           282           283           284           285 
      1  -0.550404D+01  0.631214D+00 -0.195653D+01 -0.529172D+01 -0.168798D+01
      2   0.320675D+01 -0.166039D+00  0.293858D+01  0.329746D+01 -0.951315D+00
      3   0.542119D+01 -0.178904D+01  0.595152D+01  0.657027D+01 -0.916492D+00
               286           287           288           289           290 
      1  -0.100103D-01 -0.386175D+01  0.380497D+00  0.128046D+01  0.124132D+01
      2  -0.939268D-02 -0.295655D-01  0.712178D+00  0.141682D+01  0.163498D+00
      3   0.145030D+01  0.113553D+01  0.659979D+00  0.894861D+00 -0.803178D+00
               291           292           293           294           295 
      1  -0.116866D+01  0.269478D+00 -0.301004D+00  0.322824D+01 -0.880569D+00
      2  -0.935544D+00 -0.105970D+01  0.167180D+01 -0.309517D-01 -0.333411D+01
      3  -0.152325D+01 -0.234737D+00  0.137607D+01 -0.964092D+00 -0.272280D+01
               296           297           298           299           300 
      1  -0.967627D+00  0.148187D+02 -0.757363D+00 -0.345103D+01 -0.106707D+01
      2  -0.425437D+00  0.593998D+01  0.232769D+01 -0.138613D+01  0.664603D+00
      3   0.347065D+00  0.169807D+01 -0.225652D+01  0.362770D+01  0.130906D+01
               301           302           303           304           305 
      1  -0.963694D-01  0.880811D+01 -0.853129D+00 -0.136644D+01 -0.327635D+01
      2  -0.250860D+01  0.243127D+01  0.138573D+01  0.571290D+00  0.141031D+01
      3   0.416610D+01 -0.105499D+02 -0.154307D+01 -0.901777D+00  0.158758D+01
               306           307           308           309           310 
      1  -0.887907D-01  0.203745D+00  0.136991D+01  0.180790D+01  0.955129D+00
      2   0.812155D+00  0.187429D+01 -0.793538D+00 -0.167259D+01  0.723255D+00
      3  -0.664414D+00 -0.134466D+01 -0.828065D+00  0.102777D+01 -0.254368D+00
               311           312           313           314           315 
      1   0.207866D-01  0.251979D+01 -0.699191D+00 -0.441522D+00 -0.114176D+02
      2   0.139060D+01 -0.633089D+00 -0.288706D+01  0.199022D+01  0.111593D+02
      3  -0.918830D+00 -0.147970D+01  0.264776D+01 -0.716203D+00 -0.167382D+01
               316           317           318           319           320 
      1   0.112513D+01 -0.205463D+01  0.285193D+00 -0.401517D+01  0.811765D+01
      2   0.281861D+00 -0.144413D+01  0.192318D+01 -0.438150D+01  0.820499D+00
      3   0.151253D+01 -0.327085D+01  0.126971D+00 -0.273505D+01  0.112178D+02
               321           322           323           324           325 
      1   0.425664D+00  0.164938D+01 -0.910638D+00  0.405681D+00  0.204331D+01
      2  -0.536900D+00  0.291608D+01 -0.165385D+01 -0.720565D+00 -0.479958D+00
      3   0.204256D+01  0.251814D+00 -0.177181D+01  0.638880D+00  0.173196D+01
               326           327           328           329           330 
      1   0.211904D+00 -0.130717D+01 -0.361424D+00  0.175187D+00  0.101626D+01
      2  -0.107097D+01 -0.315417D+01  0.381919D+00 -0.186119D+01  0.132670D+00
      3  -0.250555D+00 -0.778758D-01  0.316209D+00  0.564573D+00  0.179797D+01
               331           332           333 
      1   0.131638D+01  0.207271D+01 -0.227090D+01
      2  -0.332009D+00 -0.260962D+01 -0.158031D+02
      3   0.165580D+01  0.218550D+01  0.168352D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.660221D+01 -0.137836D+02  0.781336D+01 -0.977451D+01  0.302609D+02
      2   0.108846D+02  0.247634D+02 -0.859151D+01  0.183637D+02 -0.443392D+02
      3  -0.428240D+01 -0.109798D+02  0.778142D+00 -0.858920D+01  0.140783D+02
      4  -0.100157D+02  0.599358D+01  0.127546D+02  0.632960D+01  0.120664D+02
      5   0.834697D+01  0.432724D+00 -0.767521D+01 -0.288943D+01 -0.303714D+01
      6   0.143557D+02 -0.890302D+01 -0.552331D+01 -0.391442D+01  0.266474D+02
                 6             7             8             9            10 
      1  -0.137341D+02  0.650033D+01 -0.870645D+01 -0.114393D+01  0.121433D+02
      2   0.254993D+02 -0.685151D+01  0.172506D+02 -0.291022D+01 -0.174559D+02
      3  -0.117652D+02  0.351185D+00 -0.854416D+01  0.405415D+01  0.531262D+01
      4   0.269691D+00  0.107614D+02 -0.230556D+01 -0.406016D+01  0.937231D+00
      5  -0.891923D+00 -0.641548D+01 -0.196362D+00  0.991463D+00 -0.955095D+00
      6  -0.691208D+01 -0.369444D+01 -0.720180D+01 -0.291178D+01 -0.220174D+02
                11            12            13            14            15 
      1   0.118025D+02 -0.208427D+00  0.957040D+01  0.166620D+01  0.893460D+01
      2  -0.263961D+02 -0.503807D+01 -0.217845D+02 -0.610989D+01 -0.194938D+02
      3   0.145936D+02  0.524650D+01  0.122141D+02  0.444369D+01  0.105592D+02
      4  -0.242482D+02 -0.189447D+02 -0.203304D+02 -0.225855D+02 -0.699315D+01
      5  -0.881191D+01 -0.530301D+01 -0.383118D+01 -0.986085D+01  0.202968D+00
      6  -0.868445D+01  0.483065D+01 -0.535574D+01 -0.179065D+02 -0.931546D+01
                16            17            18            19            20 
      1  -0.158230D+01  0.420001D+01  0.148461D+01 -0.183754D+02 -0.499845D+01
      2  -0.203091D+01 -0.119615D+02 -0.556010D+01  0.124266D+02  0.702988D+01
      3   0.361321D+01  0.776146D+01  0.407549D+01  0.594885D+01 -0.203143D+01
      4  -0.155383D+02 -0.529069D+01  0.222589D+01 -0.803570D+01  0.504190D+01
      5  -0.515996D+01 -0.663993D+00  0.203238D+01 -0.447917D+01  0.256171D+01
      6   0.283232D+01 -0.849533D+01  0.230568D+01  0.464621D+01  0.267413D+01
                21            22            23            24            25 
      1  -0.245616D+01 -0.100746D+02 -0.132504D+02 -0.110365D+02 -0.102348D+01
      2   0.390689D+00  0.150583D+02  0.130795D+02  0.130511D+02  0.207681D+01
      3   0.206547D+01 -0.498369D+01  0.170823D+00 -0.201453D+01 -0.105333D+01
      4   0.197955D+01  0.786781D+01  0.112160D+02  0.559796D+01  0.259555D+00
      5   0.394542D+01  0.171309D+01  0.903011D+01  0.206621D+01  0.301921D+01
      6   0.223757D+01  0.459873D+01  0.951578D+01  0.722876D+01 -0.146641D+00
                26            27            28            29            30 
      1  -0.564377D+01  0.361402D+01 -0.918859D+01 -0.148843D-01 -0.540316D+01
      2   0.517170D+01  0.124762D+02  0.315121D+01  0.223099D-01  0.541279D+01
      3   0.472070D+00 -0.160902D+02  0.603739D+01 -0.742559D-02 -0.962667D-02
      4   0.372584D+01 -0.876874D-01  0.723266D-02 -0.606902D+01  0.360138D+01
      5   0.561084D+00 -0.453636D+01 -0.327344D+01  0.221316D+01 -0.324861D+01
      6   0.571286D+01 -0.709040D+01  0.220818D+01  0.336423D+01 -0.169172D-01
                31            32            33            34            35 
      1   0.242056D-01  0.314265D+01  0.357083D+01 -0.766326D+01  0.514899D+01
      2  -0.374242D-01 -0.919364D+01 -0.358023D+01  0.768175D+01 -0.514983D+01
      3   0.132186D-01  0.605100D+01  0.940642D-02 -0.184883D-01  0.837559D-03
      4  -0.620251D+01  0.112158D-01  0.543619D+01  0.518314D+01  0.764832D+01
      5   0.216984D+01  0.332182D+01  0.547293D-01  0.372282D+01 -0.446019D-02
      6   0.332684D+01 -0.218636D+01 -0.325456D+01  0.462604D-02  0.365544D+01
                36            37            38            39            40 
      1   0.155179D+00 -0.285583D+01  0.807864D+00  0.120016D+01  0.594447D+01
      2   0.854256D-01 -0.470864D+01  0.217870D+00 -0.388830D+01 -0.785340D+01
      3  -0.240605D+00  0.756447D+01 -0.102573D+01  0.268813D+01  0.190893D+01
      4   0.345549D-02  0.129084D+02 -0.546660D+01 -0.209113D+01 -0.809405D+01
      5  -0.326203D-01 -0.478964D+01  0.258730D+01  0.291635D+01  0.412734D+01
      6   0.270113D-01 -0.102353D+01 -0.119331D+01 -0.449738D+00  0.240913D+00
                41            42            43            44            45 
      1  -0.226057D+02  0.119231D+02  0.185911D+01  0.642850D+01  0.498421D+01
      2   0.240685D+02 -0.129952D+02 -0.730340D+00 -0.638832D+01  0.110992D+02
      3  -0.146279D+01  0.107212D+01 -0.112877D+01 -0.401785D-01 -0.160834D+02
      4   0.501991D+01 -0.407987D+01  0.405050D+00 -0.144464D+01  0.319785D+01
      5   0.354314D+01 -0.293983D+00  0.325739D+01  0.472304D+00 -0.144467D+01
      6  -0.137985D+02  0.826471D+01  0.116395D+01  0.544266D+01  0.831392D+01
                46            47            48            49            50 
      1   0.745602D+01  0.117109D+02  0.111325D+02  0.470192D+01  0.162780D+02
      2  -0.865251D+01 -0.611661D+01 -0.884947D+01 -0.204830D+01 -0.212037D+02
      3   0.119649D+01 -0.559427D+01 -0.228306D+01 -0.265362D+01  0.492570D+01
      4   0.117009D+02  0.128319D+02  0.815138D+01  0.847314D+01 -0.124222D+01
      5   0.735026D+01  0.460937D+01  0.660223D+01  0.259816D+01  0.610979D+01
      6   0.927296D+01  0.400423D+01  0.241421D+01  0.463685D+01 -0.295541D+01
                51            52            53            54            55 
      1   0.129460D+01  0.370586D+01  0.245843D+01  0.123465D+02  0.414684D+01
      2  -0.311433D+01 -0.430878D+01 -0.152003D+01  0.375410D+01 -0.514002D+01
      3   0.181973D+01  0.602920D+00 -0.938396D+00 -0.161006D+02  0.993181D+00
      4   0.337625D+01  0.486791D+01  0.125425D+01  0.106795D+01 -0.157483D+02
      5   0.262546D+01  0.562667D+01  0.208264D+00 -0.646516D+01 -0.149670D+02
      6   0.456123D+01  0.891159D+00  0.311450D+01 -0.537889D+01 -0.100845D+02
                56            57            58            59            60 
      1  -0.131581D+02 -0.170546D+02 -0.166617D+02 -0.215173D+02 -0.229191D+01
      2   0.152606D+01  0.725570D+01  0.264333D+01  0.127349D+02 -0.426965D+01
      3   0.116321D+02  0.979895D+01  0.140184D+02  0.878243D+01  0.656155D+01
      4  -0.253698D+02 -0.785146D+01 -0.300659D+02 -0.997784D+01 -0.201134D+02
      5  -0.388909D+01 -0.988182D+01 -0.656485D+01 -0.231940D+02  0.422482D+01
      6  -0.531875D+01 -0.383608D+00 -0.106985D+02 -0.580794D+01 -0.471560D+01
                61            62            63            64            65 
      1  -0.104939D+02  0.644833D+00 -0.599627D+01 -0.501631D+02  0.791889D+01
      2   0.326119D+01 -0.522385D+01  0.192962D+01  0.338905D+02 -0.203304D+01
      3   0.723274D+01  0.457901D+01  0.406664D+01  0.162725D+02 -0.588585D+01
      4  -0.515822D+01 -0.158724D+02  0.124338D+01 -0.768191D+00  0.106405D+02
      5  -0.871403D+01  0.236095D+01  0.202386D+01  0.281927D+02 -0.154620D+01
      6  -0.112165D+01 -0.493602D+01  0.230924D+01  0.115021D+01 -0.456220D+01
                66            67            68            69            70 
      1   0.260828D+02  0.142316D+02  0.171974D+02 -0.829941D+01  0.185049D+02
      2  -0.143123D+02 -0.596229D+01 -0.106901D+02  0.904553D+01 -0.997620D+01
      3  -0.117705D+02 -0.826928D+01 -0.650730D+01 -0.746113D+00 -0.852872D+01
      4   0.393723D+01  0.116609D+02 -0.460506D+01  0.107994D+02 -0.250607D-01
      5  -0.612882D+01 -0.693073D+01  0.117659D+02 -0.530050D+01 -0.671369D+01
      6  -0.686075D+00 -0.191744D+01  0.944328D+01 -0.848347D+01 -0.238086D+00
                71            72            73            74            75 
      1  -0.706244D+01 -0.186201D+01  0.220132D+02 -0.159852D+01 -0.109927D+02
      2   0.782449D+01 -0.220665D+01 -0.205887D+02  0.862356D+00  0.102808D+02
      3  -0.762048D+00  0.406866D+01 -0.142449D+01  0.736163D+00  0.711921D+00
      4   0.873933D+01 -0.415678D+01  0.128752D+02 -0.955075D+01 -0.673037D+01
      5  -0.373083D+01 -0.301476D+01 -0.136803D+02 -0.202450D+01  0.828949D+01
      6  -0.693110D+01  0.599213D+00  0.779225D+00  0.482566D+01  0.454311D+00
                76            77            78            79            80 
      1   0.555907D+01 -0.802785D+01 -0.473800D+01 -0.565808D+01 -0.152179D+01
      2  -0.334278D+01  0.490471D+00  0.193086D+01  0.554254D+01  0.266782D+01
      3  -0.221628D+01  0.753738D+01  0.280715D+01  0.115541D+00 -0.114602D+01
      4  -0.531284D+01  0.103004D+02 -0.359240D+01 -0.301486D+01 -0.343799D+00
      5  -0.325637D+01 -0.857665D+00  0.240281D+00  0.521927D+01  0.142758D+01
      6   0.314614D+01 -0.390789D+01  0.289665D+01  0.728739D+00  0.352933D+01
                81            82            83            84            85 
      1   0.101921D+02 -0.202665D+00  0.490283D+01  0.289371D+01  0.721024D+01
      2   0.591615D+01 -0.444099D+01 -0.106532D+02 -0.139742D+00 -0.100013D+02
      3  -0.161082D+02  0.464366D+01  0.575033D+01 -0.275397D+01  0.279102D+01
      4   0.389077D+01 -0.529923D+01  0.124974D+02 -0.103389D+02  0.547366D+01
      5   0.842902D+01  0.254952D+01 -0.993847D+00  0.455017D+01  0.109331D+01
      6  -0.361146D+00 -0.586596D+01  0.803543D+01 -0.241290D+01  0.783364D+01
                86            87            88            89            90 
      1   0.869341D+01  0.674159D+00 -0.122603D+01 -0.551984D+00  0.103502D+02
      2  -0.101599D+02  0.853855D-01  0.270625D+00 -0.150320D+00  0.575068D+01
      3   0.146648D+01 -0.759544D+00  0.955406D+00  0.702304D+00 -0.161009D+02
      4  -0.210399D+02  0.853076D+01 -0.493152D+01  0.453421D+01 -0.380598D+01
      5   0.742745D+01 -0.258820D+01  0.486393D+01 -0.911245D+00 -0.388937D+01
      6  -0.517883D+01  0.662799D+01 -0.164074D+01  0.386575D+01  0.749914D+01
                91            92            93            94            95 
      1   0.546390D+01 -0.130616D+02 -0.117586D+02 -0.135462D+02 -0.962066D+00
      2   0.146319D+01  0.182264D+02  0.524108D+01  0.210885D+02 -0.157402D+02
      3  -0.692709D+01 -0.516479D+01  0.651750D+01 -0.754229D+01  0.167022D+02
      4  -0.856803D+01 -0.117088D+02  0.790593D+01 -0.166013D+02  0.356294D+02
      5  -0.100535D+02 -0.219818D+01 -0.105145D+02 -0.179883D+01 -0.191209D+02
      6   0.829258D+01 -0.396389D+01  0.280745D+01 -0.993389D+01  0.210289D+02
                96            97            98            99           100 
      1  -0.771450D+01 -0.866150D+01 -0.832325D+01 -0.574796D+01 -0.301641D+02
      2   0.175450D+02  0.375206D+01  0.153365D+02  0.167482D+01  0.122161D+02
      3  -0.983046D+01  0.490944D+01 -0.701328D+01  0.407314D+01  0.179480D+02
      4  -0.179182D+02  0.435039D+01 -0.117015D+02  0.192773D+01  0.341811D+02
      5  -0.185709D+01 -0.860144D+01 -0.867673D+00  0.993267D+00  0.247781D+02
      6  -0.411352D+01  0.265290D+01 -0.503177D+01 -0.293279D+01 -0.153013D+02
               101           102           103           104           105 
      1   0.203111D+02  0.211596D+02  0.161927D+02  0.922565D+01  0.572403D+01
      2  -0.160831D+02 -0.105821D+02 -0.143554D+02 -0.106020D+01 -0.109302D+02
      3  -0.422792D+01 -0.105774D+02 -0.183728D+01 -0.816545D+01  0.520620D+01
      4  -0.583281D+01 -0.151747D+02 -0.150401D+01 -0.105209D+02  0.790905D+01
      5  -0.757559D+01 -0.431968D+01 -0.158818D+01  0.804605D+01  0.358615D+01
      6  -0.394093D+01 -0.104533D+01 -0.357053D+01 -0.976417D+01 -0.102572D+02
               106           107           108           109           110 
      1   0.174922D+02  0.473543D+01  0.105179D+01 -0.114889D+01 -0.108248D+02
      2  -0.990780D+01 -0.870250D+01 -0.511161D+01  0.734839D+00  0.861888D+01
      3  -0.758439D+01  0.396708D+01  0.405982D+01  0.414046D+00  0.220594D+01
      4  -0.891959D+01  0.468412D+01  0.280961D+01 -0.241045D+02  0.579206D+00
      5  -0.532672D+01  0.307223D+01 -0.302613D+01 -0.811985D+01  0.739058D+01
      6  -0.422118D+00 -0.832203D+01  0.608434D+00  0.634175D+01  0.273016D+01
               111           112           113           114           115 
      1  -0.240929D+01 -0.133433D+02 -0.625229D+01  0.234507D+01 -0.146877D+01
      2   0.283228D+01  0.819640D+01  0.548711D+00  0.532296D+00  0.933236D+00
      3  -0.422989D+00  0.514692D+01  0.570358D+01 -0.287736D+01  0.535531D+00
      4   0.948448D+01  0.764341D+01 -0.430682D+01 -0.922580D+01  0.493410D+01
      5   0.724329D+01  0.789857D+01 -0.409840D+01 -0.206026D+01  0.418077D+01
      6  -0.224229D+01  0.678700D+00  0.212458D+01  0.393396D+01 -0.102244D+01
               116           117           118           119           120 
      1   0.135076D+01  0.679186D+01  0.828429D+02 -0.111707D+01 -0.213732D+02
      2  -0.234811D+01  0.930399D+01 -0.477425D+02  0.160561D+01  0.143688D+02
      3   0.997350D+00 -0.160958D+02 -0.351003D+02 -0.488535D+00  0.700440D+01
      4  -0.389777D+01 -0.425440D+01  0.103695D+02  0.798267D+01 -0.244495D+01
      5  -0.170129D+01  0.793225D+01 -0.329697D+02  0.444158D+00  0.185835D+02
      6   0.454450D+01 -0.292178D+01 -0.349232D+01 -0.162211D+01  0.294348D+01
               121           122           123           124           125 
      1  -0.143087D+02  0.743756D+01  0.504283D+01 -0.176291D+02  0.104466D+01
      2   0.992200D+01 -0.409297D+01 -0.470855D+01  0.141605D+02 -0.174731D+01
      3   0.438673D+01 -0.334459D+01 -0.334286D+00  0.346857D+01  0.702648D+00
      4   0.946931D+01 -0.956958D+00 -0.447121D+01 -0.266401D+01 -0.346532D+01
      5   0.629796D+01 -0.578727D+01 -0.279300D+01  0.225795D+02  0.170031D+00
      6  -0.261341D+01 -0.850063D+00  0.276603D+01  0.317759D+01  0.269786D+01
               126           127           128           129           130 
      1   0.134494D+02  0.109468D+01  0.548511D+01 -0.746417D+01  0.443394D+01
      2  -0.109998D+02  0.147019D+00 -0.379055D+01  0.377166D+01 -0.139377D+01
      3  -0.244959D+01 -0.124170D+01 -0.169457D+01  0.369251D+01 -0.304017D+01
      4   0.212100D+01  0.226134D+01  0.110989D+00 -0.140694D+01  0.723673D+01
      5  -0.134585D+02 -0.499673D+01 -0.896948D+00  0.707273D+00 -0.343603D+01
      6  -0.159353D+01 -0.350188D+01  0.276006D+01 -0.190447D+01 -0.213968D+01
               131           132           133           134           135 
      1  -0.133343D+02  0.750882D+01 -0.633783D+01  0.530602D+01 -0.651210D+01
      2   0.182357D+02 -0.637981D+01  0.351083D+01 -0.315835D+01  0.201100D+01
      3  -0.490147D+01 -0.112901D+01  0.282700D+01 -0.214767D+01  0.450111D+01
      4   0.226153D+02 -0.104903D+02 -0.448145D+01 -0.877214D+01  0.811913D+01
      5  -0.104816D+02  0.119965D+02  0.501181D+01  0.858766D+01 -0.106618D+02
      6  -0.169328D+02  0.126610D+02  0.150949D+01  0.111862D+02 -0.110154D+02
               136           137           138           139           140 
      1   0.343386D+02  0.170239D+02  0.100803D+02  0.208203D+02  0.123787D+02
      2  -0.128895D+02 -0.362438D+01 -0.472897D+01 -0.253813D+01  0.461787D+01
      3  -0.214491D+02 -0.133996D+02 -0.535138D+01 -0.182822D+02 -0.169966D+02
      4   0.316815D+02  0.232269D+02  0.961217D+01  0.340091D+02  0.345082D+02
      5   0.183492D+02  0.952219D+01  0.127876D+02  0.135664D+02  0.150280D+02
      6   0.832985D+01  0.576241D+01  0.474425D+01  0.101129D+02  0.118002D+02
               141           142           143           144           145 
      1   0.409491D+01  0.871293D+01  0.247761D+01  0.643532D+01  0.149105D+02
      2   0.431890D+00 -0.553475D+01 -0.928475D+00 -0.399002D+01 -0.100040D+02
      3  -0.452681D+01 -0.317819D+01 -0.154913D+01 -0.244529D+01 -0.490649D+01
      4   0.147708D+02  0.102591D+02  0.106985D+02  0.112526D+02 -0.527816D+01
      5   0.104845D+02  0.168244D+02  0.106673D+02  0.116412D+02  0.122377D+02
      6   0.854859D+01  0.765747D+01  0.844234D+01  0.692299D+01 -0.938990D+00
               146           147           148           149           150 
      1  -0.626032D+01  0.843693D+01 -0.133912D+02  0.829635D+01 -0.332871D+01
      2   0.455242D+01 -0.618504D+01  0.103249D+02 -0.703057D+01  0.646545D+01
      3   0.170790D+01 -0.225189D+01  0.306636D+01 -0.126578D+01 -0.313674D+01
      4   0.768771D+01 -0.171559D+01  0.112013D+02 -0.159360D+02  0.105594D+02
      5  -0.394093D+01  0.100299D+02 -0.894870D+01  0.125062D+02 -0.140257D+02
      6   0.196831D+01 -0.128421D+00  0.430110D+01 -0.585520D+01  0.336085D+01
               151           152           153           154           155 
      1   0.941919D+01 -0.730157D+00  0.449874D+01  0.557004D+01 -0.533845D+01
      2  -0.847489D+01  0.415374D+01 -0.898395D+01  0.403725D+01 -0.501039D+01
      3  -0.944292D+00 -0.342358D+01  0.448521D+01 -0.960729D+01  0.103488D+02
      4  -0.101416D+01  0.723897D+01 -0.621929D+01 -0.175728D+02  0.197793D+02
      5   0.121839D+02 -0.782811D+01  0.151604D+02  0.773810D+01 -0.592547D+01
      6  -0.750466D+00  0.402489D+01 -0.225393D+01 -0.670419D+01  0.485564D+01
               156           157           158           159           160 
      1   0.366443D+01 -0.110566D+01 -0.136993D+02  0.593858D+01  0.155627D+01
      2  -0.451413D+00 -0.141158D+02  0.425483D+02 -0.121729D+02  0.782547D+00
      3  -0.321302D+01  0.152214D+02 -0.288489D+02  0.623436D+01 -0.233882D+01
      4  -0.663648D+01  0.283431D+02 -0.487176D+02  0.154623D+02 -0.800313D+01
      5   0.679162D+01 -0.799277D+01  0.154189D+02 -0.975669D+01  0.912335D+01
      6  -0.402169D+01  0.104207D+02 -0.246984D+02  0.145631D+02 -0.794411D+01
               161           162           163           164           165 
      1   0.540560D+01 -0.304842D+01  0.251367D+02  0.684479D+01  0.105069D+02
      2  -0.805629D+01  0.549594D+01 -0.191133D+02 -0.712340D+01 -0.963554D+01
      3   0.265069D+01 -0.244753D+01 -0.602341D+01  0.278610D+00 -0.871308D+00
      4   0.128117D+02 -0.116509D+02 -0.304342D+01  0.529104D+01 -0.211766D+01
      5  -0.109544D+02  0.811815D+01  0.170133D+02  0.305993D+01  0.140507D+02
      6   0.161591D+02 -0.108608D+02 -0.285741D+01  0.174949D+01 -0.429724D+01
               166           167           168           169           170 
      1   0.145478D+02  0.709592D+01  0.577342D+01  0.889461D+01  0.186566D+01
      2  -0.134842D+02 -0.699148D+01 -0.955037D+01 -0.934235D+01 -0.540023D+01
      3  -0.106360D+01 -0.104448D+00  0.377695D+01  0.447736D+00  0.353458D+01
      4   0.323565D+01  0.383916D+01  0.521943D+01 -0.388505D+01  0.528355D+01
      5   0.857091D+01  0.843197D+01  0.960726D+01  0.140197D+02  0.369428D+01
      6   0.199617D+01 -0.335862D+00 -0.664572D+00 -0.339173D+01  0.218784D+01
               171           172           173           174           175 
      1   0.690965D+01  0.575163D+02 -0.147793D+02 -0.158938D+02 -0.366895D+01
      2  -0.114175D+02 -0.256767D+02  0.249643D+01  0.930046D+01 -0.372830D+01
      3   0.450783D+01 -0.318396D+02  0.122829D+02  0.659333D+01  0.739724D+01
      4  -0.367764D+00 -0.451617D+02  0.219701D+02  0.133670D+02  0.154039D+02
      5   0.148901D+02 -0.283432D+02  0.862605D+01  0.161934D+02  0.283547D+01
      6  -0.373017D+01  0.134781D+02 -0.566689D+01 -0.850448D+01 -0.434006D+01
               176           177           178           179           180 
      1   0.531211D+01 -0.752787D+00 -0.114160D+02  0.138961D+01  0.836769D+01
      2   0.129988D+01  0.311712D+01  0.848780D+01  0.582225D+00 -0.591603D+01
      3  -0.661198D+01 -0.236433D+01  0.292815D+01 -0.197184D+01 -0.245166D+01
      4  -0.117176D+02 -0.522095D+01  0.115482D+02 -0.636341D+01 -0.101352D+02
      5  -0.576367D+01 -0.277020D+01  0.184741D+02 -0.670231D+01 -0.118055D+02
      6   0.534296D+01  0.513074D+01 -0.971030D+01  0.678749D+01  0.660938D+01
               181           182           183           184           185 
      1  -0.503956D+01 -0.121919D+02 -0.939050D+01 -0.661516D+01 -0.202801D+02
      2   0.515641D+01  0.124842D+02  0.554771D+01  0.554004D+01  0.263410D+02
      3  -0.116848D+00 -0.292347D+00  0.384279D+01  0.107512D+01 -0.606094D+01
      4   0.133139D+01  0.809124D+00  0.363038D+01  0.467003D+01 -0.818311D+01
      5  -0.177853D+01  0.129200D+01 -0.110146D+01  0.178733D+01 -0.471932D+01
      6   0.688873D+01  0.748901D+01  0.759259D+01  0.198835D+01  0.179287D+02
               186           187           188           189           190 
      1  -0.100488D+02 -0.552879D+01 -0.882702D+01 -0.109956D+02 -0.183034D+01
      2   0.104368D+02  0.208981D+01  0.793330D+01  0.650828D+01  0.148015D+02
      3  -0.388000D+00  0.343899D+01  0.893716D+00  0.448733D+01 -0.129711D+02
      4  -0.422429D+01  0.493393D+01 -0.553539D+01 -0.273255D+01  0.257874D+02
      5  -0.630177D+01  0.235480D+01 -0.492837D+01 -0.564028D+01  0.803826D+01
      6   0.144954D+02  0.214725D+01  0.138596D+02  0.142663D+02  0.132693D+02
               191           192           193           194           195 
      1  -0.849536D+01 -0.238630D+01 -0.685095D+01 -0.226163D+02 -0.734181D+01
      2   0.256522D+02  0.617529D+01  0.191370D+02  0.480775D+02  0.132382D+02
      3  -0.171568D+02 -0.378899D+01 -0.122860D+02 -0.254613D+02 -0.589643D+01
      4   0.300005D+02  0.127251D+02  0.199426D+02  0.310530D+02  0.911918D+01
      5   0.854990D+01  0.666044D+01  0.476358D+01  0.758897D+01  0.394519D+01
      6   0.139841D+02  0.968572D+01  0.941326D+01  0.224770D+02  0.146982D+02
               196           197           198           199           200 
      1  -0.257012D+01 -0.835451D+01 -0.672278D+01 -0.395774D+01  0.758709D+01
      2   0.369449D+01  0.117051D+02  0.916823D+01  0.588729D+01 -0.110277D+02
      3  -0.112437D+01 -0.335055D+01 -0.244545D+01 -0.192955D+01  0.344059D+01
      4   0.876524D+01  0.929752D+01  0.952727D+01 -0.201433D+02  0.123082D+02
      5   0.622095D+01  0.626838D+01  0.535080D+01 -0.837670D+01  0.465605D+01
      6   0.927727D+01  0.190561D+02  0.124531D+02  0.131851D+02 -0.815117D+01
               201           202           203           204           205 
      1   0.425907D+01  0.294145D+01 -0.686436D+01 -0.497633D+01  0.321450D+01
      2  -0.143045D+01 -0.503119D+01  0.110745D+02  0.761205D+01  0.666770D-01
      3  -0.282862D+01  0.208974D+01 -0.421015D+01 -0.263572D+01 -0.328118D+01
      4   0.118307D+02  0.725835D+01 -0.552647D+01 -0.201993D+01  0.798939D+01
      5   0.530483D+01  0.168776D+01 -0.158121D+01 -0.748212D+00  0.527351D+01
      6  -0.146477D+02 -0.349644D+01  0.104366D+02  0.807080D+01 -0.873783D+01
               206           207           208           209           210 
      1  -0.755721D+01 -0.715761D+01 -0.525752D+01  0.127131D+02 -0.523020D+01
      2   0.893702D+01  0.265354D+01  0.964995D+01 -0.211423D+02  0.647406D+01
      3  -0.137981D+01  0.450407D+01 -0.439243D+01  0.842919D+01 -0.124386D+01
      4  -0.226281D+01 -0.774860D+01 -0.512189D+01  0.125120D+02 -0.582098D+01
      5  -0.165847D+01 -0.421111D+01  0.582935D+00 -0.344179D+01  0.301195D+01
      6   0.109347D+02  0.147566D+02 -0.709893D+01  0.931720D+01 -0.483374D+01
               211           212           213           214           215 
      1   0.514308D+01 -0.466077D+02  0.138161D+02 -0.265900D+01  0.140688D+02
      2  -0.869321D+01  0.806848D+02 -0.207155D+02  0.241354D+01 -0.175977D+02
      3   0.355013D+01 -0.340771D+02  0.689948D+01  0.245457D+00  0.352894D+01
      4   0.829449D+01 -0.414455D+01  0.150460D+01 -0.387365D+01  0.103299D+01
      5  -0.169710D+01  0.157933D+00  0.898954D+00  0.260057D+01  0.553894D+00
      6   0.364690D+01 -0.318591D+02  0.183123D+02 -0.245320D+01  0.226555D+02
               216           217           218           219           220 
      1  -0.111215D+02  0.125251D+02 -0.148066D+01 -0.392079D+01 -0.196755D+01
      2   0.135735D+02 -0.828690D+01  0.492903D+01  0.550691D+01  0.405964D+01
      3  -0.245203D+01 -0.423822D+01 -0.344837D+01 -0.158612D+01 -0.209209D+01
      4  -0.110782D+01  0.248598D+02  0.925427D+01 -0.118370D+02  0.191189D+01
      5   0.173542D+00 -0.153667D+02 -0.332261D+01  0.111607D+02  0.119550D+01
      6  -0.135283D+02 -0.119328D+02 -0.455503D+01  0.133759D+02 -0.138595D+01
               221           222           223           224           225 
      1  -0.113912D+01  0.346635D+01 -0.132198D+01  0.438760D+01 -0.229466D+00
      2   0.306886D+01 -0.699073D+01  0.381498D+01 -0.691750D+01 -0.426010D+01
      3  -0.192974D+01  0.352438D+01 -0.249300D+01  0.252989D+01  0.448957D+01
      4   0.316267D+01 -0.146555D+01 -0.909213D+01 -0.429316D+01  0.894637D+01
      5  -0.288212D+01 -0.520801D+00  0.978284D+01  0.213451D+01 -0.953779D+01
      6  -0.609687D+01  0.223322D+01  0.921546D+01  0.643300D+01 -0.120176D+02
               226           227           228           229           230 
      1   0.122979D+02  0.178233D+01 -0.148472D+01 -0.212457D+01  0.222443D+01
      2  -0.389820D+01 -0.767547D+01  0.576223D+00 -0.168456D+01  0.275051D+01
      3  -0.839974D+01  0.589313D+01  0.908493D+00  0.380913D+01 -0.497495D+01
      4  -0.237199D+02  0.108707D+02 -0.434335D+01  0.901001D+01 -0.724048D+01
      5   0.109016D+02 -0.482164D+01  0.447775D+01 -0.243767D+01  0.140235D+01
      6  -0.379991D+01  0.677483D+01 -0.550250D+01  0.152377D+01  0.959779D-01
               231           232           233           234           235 
      1  -0.130110D+01 -0.103386D+01 -0.360226D+01  0.139859D+01 -0.723824D+00
      2   0.129687D+01 -0.174263D+01  0.632084D+01 -0.333477D+01 -0.219820D+01
      3   0.423290D-02  0.277649D+01 -0.271858D+01  0.193618D+01  0.292202D+01
      4   0.140806D+01  0.208117D+01 -0.449410D+00 -0.324773D+01 -0.126233D+01
      5  -0.132492D+01  0.225770D+01 -0.729942D+00  0.186930D+01  0.168071D+01
      6   0.114350D+01 -0.269042D+01 -0.721704D+00 -0.514613D+00 -0.253008D+01
               236           237           238           239           240 
      1  -0.299433D+01  0.199639D+01 -0.181064D+01  0.100927D+01 -0.148518D+01
      2   0.297144D+01 -0.737454D+00  0.116193D+01 -0.390380D+01 -0.314791D+01
      3   0.228921D-01 -0.125894D+01  0.648706D+00  0.289453D+01  0.463308D+01
      4   0.247748D+01 -0.316015D+01  0.280311D+00 -0.140970D+00  0.374229D-01
      5  -0.100822D+01  0.513937D+01 -0.197655D+00 -0.119249D+01  0.105420D+01
      6  -0.120529D+01  0.972167D+00 -0.861985D+00  0.423770D+00  0.129241D+01
               241           242           243           244           245 
      1  -0.112539D+01  0.640334D+01 -0.171528D+02  0.294621D+02 -0.184871D+01
      2  -0.315310D+01 -0.365836D+01 -0.191185D+02 -0.181133D+02  0.510263D+01
      3   0.427850D+01 -0.274499D+01  0.362714D+02 -0.113488D+02 -0.325392D+01
      4  -0.380081D+01  0.305120D+00 -0.329265D+01  0.162650D+02  0.648659D+01
      5   0.433314D+01 -0.102420D+01  0.572119D+01  0.134941D+02  0.195334D+01
      6  -0.355295D+01  0.774645D+01 -0.232245D+02  0.104425D+01  0.370345D+01
               246           247           248           249           250 
      1   0.246741D+01 -0.682420D+00  0.469750D+01  0.105282D+01 -0.172196D+01
      2  -0.330678D+01  0.185541D+01 -0.264957D+01 -0.695161D+00 -0.188572D+01
      3   0.839370D+00 -0.117299D+01 -0.204793D+01 -0.357660D+00  0.360768D+01
      4   0.352149D+01  0.165816D+01  0.328658D-01 -0.138510D+01 -0.307486D+01
      5   0.639486D+01 -0.224840D+01 -0.735375D+00 -0.862233D+00  0.301636D+01
      6   0.331847D+01 -0.226749D+00 -0.235429D+01 -0.789388D+00  0.112867D+01
               251           252           253           254           255 
      1   0.270707D+01  0.300580D+01  0.195374D+01  0.322478D+01  0.420807D+01
      2  -0.415725D+01 -0.492629D+01 -0.463139D+01 -0.329154D+01 -0.128421D+01
      3   0.145019D+01  0.192050D+01  0.267766D+01  0.667591D-01 -0.292386D+01
      4  -0.287321D+01  0.612174D+00 -0.345560D+00 -0.886965D+00  0.140696D+01
      5  -0.839326D+00  0.190903D+01  0.208449D+01 -0.910230D+00  0.386705D+01
      6  -0.148874D+01 -0.267796D+00  0.619385D+00 -0.172292D+01 -0.201927D+01
               256           257           258           259           260 
      1   0.926442D+00 -0.161026D+01  0.156172D+00 -0.630280D+00 -0.483010D+01
      2  -0.364168D+00 -0.152172D+01  0.363735D+01 -0.438437D+01  0.394258D+01
      3  -0.562274D+00  0.313198D+01 -0.379352D+01  0.501465D+01  0.887525D+00
      4  -0.138637D+01 -0.904728D+00  0.871127D-01  0.326951D+01  0.273485D+01
      5  -0.153332D+01 -0.817458D+00 -0.211615D+01  0.645973D+01  0.156016D+01
      6  -0.109588D+01  0.115348D+01  0.257850D+01  0.409690D+01  0.562274D+01
               261           262           263           264           265 
      1  -0.151060D+02  0.223532D+02  0.863564D+01 -0.239942D+01  0.137588D+02
      2  -0.211662D+02 -0.123329D+02 -0.576808D+01  0.285603D+01 -0.880428D+01
      3   0.362722D+02 -0.100203D+02 -0.286756D+01 -0.456611D+00 -0.495451D+01
      4   0.163747D+01  0.988860D+01  0.988887D+01 -0.223267D+01  0.652168D+01
      5   0.142003D+02 -0.732158D+01 -0.336330D+01  0.493065D+01 -0.910057D+01
      6   0.192455D+02 -0.376266D+01 -0.353731D+01  0.105933D+01 -0.297915D+01
               266           267           268           269           270 
      1   0.717665D+01 -0.302673D+01  0.533482D+01  0.793349D+00  0.657065D+00
      2  -0.383051D+01  0.381900D+01 -0.159474D+01  0.255404D+00 -0.259016D+01
      3  -0.334614D+01 -0.792270D+00 -0.374008D+01 -0.104875D+01  0.193309D+01
      4   0.124338D+02 -0.201575D+00 -0.317745D+01  0.267836D+01  0.367718D+01
      5  -0.203710D+01  0.525495D+01  0.150422D+01  0.313014D+01 -0.137611D+01
      6  -0.506317D+01  0.687277D+00  0.116406D+01  0.499029D-01 -0.136588D+01
               271           272           273           274           275 
      1  -0.187709D+01  0.487686D+00 -0.374034D+01  0.132917D+01 -0.140516D+01
      2  -0.722695D+00 -0.219484D-01 -0.911954D+00 -0.148943D+01 -0.179616D+01
      3   0.259979D+01 -0.465737D+00  0.465229D+01  0.160258D+00  0.320132D+01
      4   0.424018D+01 -0.280951D+00 -0.776519D+00  0.211330D+01 -0.772807D+00
      5   0.487094D+00 -0.137875D+01  0.136846D+01 -0.149075D+01 -0.254173D+01
      6  -0.332090D+00 -0.518643D+00  0.112650D+01 -0.139252D+01  0.967004D+00
               276           277           278           279           280 
      1  -0.948137D+00 -0.154463D+01  0.133558D+00 -0.157867D+02 -0.465126D+01
      2   0.217061D+01  0.605106D+01  0.218925D+01 -0.204892D+02  0.709883D+01
      3  -0.122247D+01 -0.450643D+01 -0.232281D+01  0.362759D+02 -0.244757D+01
      4  -0.274029D+01  0.224966D+01 -0.450021D+01  0.249378D+01  0.901856D+01
      5   0.120095D+01  0.886482D+01  0.925441D+00 -0.229564D+02 -0.406958D+01
      6   0.505599D+01 -0.159504D+01  0.320838D+01  0.666252D+01 -0.104177D+01
               281           282           283           284           285 
      1  -0.882636D+01  0.326024D+01 -0.682534D+01 -0.165405D+02  0.378451D+01
      2   0.127985D+02 -0.253669D+01  0.870447D+01  0.275073D+02 -0.323206D+01
      3  -0.397212D+01 -0.723553D+00 -0.187913D+01 -0.109668D+02 -0.552441D+00
      4   0.391542D+01  0.889257D+00  0.820655D+01  0.659628D+01 -0.136033D+01
      5  -0.194074D+01 -0.558262D-01 -0.322911D+01 -0.343162D+01  0.396660D+00
      6  -0.848761D+01  0.457875D+01 -0.289736D+01 -0.933411D+01  0.565519D+01
               286           287           288           289           290 
      1  -0.372252D+00 -0.745744D+00 -0.347667D+01 -0.135071D+01 -0.192774D+01
      2   0.919171D+00  0.460576D+01  0.155855D+01 -0.188479D+01  0.168908D+01
      3  -0.546918D+00 -0.386001D+01  0.191811D+01  0.323550D+01  0.238660D+00
      4   0.301750D+01 -0.359186D+01  0.312921D+01 -0.877510D+00  0.100218D+01
      5  -0.491281D+00  0.894211D+00 -0.117717D+01  0.144709D+01 -0.951743D+00
      6   0.286202D+01  0.202193D+01 -0.152117D+01 -0.196161D+01 -0.197207D+01
               291           292           293           294           295 
      1   0.290566D+01  0.123950D+00 -0.210444D+01 -0.355460D+00  0.261489D+01
      2  -0.106704D+01  0.265805D+00 -0.472523D+00 -0.405108D+01 -0.861961D+00
      3  -0.183862D+01 -0.389755D+00  0.257696D+01  0.440654D+01 -0.175293D+01
      4  -0.218718D+01 -0.100282D+01  0.432564D+01 -0.669975D+00 -0.447308D+01
      5   0.468687D+01 -0.962471D-01 -0.554493D+00  0.154166D+01  0.337684D+01
      6   0.165087D+01 -0.173873D+01 -0.391044D-01  0.176844D+01  0.225890D+00
               296           297           298           299           300 
      1   0.575793D+01 -0.210795D+02 -0.347152D+01  0.376013D+01  0.223979D+00
      2  -0.957536D+00 -0.151795D+02  0.509660D+01 -0.385918D+01  0.229219D+00
      3  -0.480040D+01  0.362590D+02 -0.162507D+01  0.990436D-01 -0.453198D+00
      4   0.259266D+01  0.181107D+01 -0.192057D+01  0.431976D+00 -0.188812D+01
      5  -0.232004D+01  0.955564D+01 -0.267363D+01 -0.183336D+00 -0.975089D+00
      6   0.871661D+01 -0.219455D+02 -0.798105D+00 -0.414582D+01 -0.183340D+01
               301           302           303           304           305 
      1   0.568834D+01 -0.205895D+02 -0.414601D+01 -0.311292D+01 -0.153567D+01
      2  -0.369539D+01  0.323224D+02  0.336305D+01  0.214753D+01 -0.222005D+01
      3  -0.199295D+01 -0.117329D+02  0.782958D+00  0.965381D+00  0.375572D+01
      4   0.562924D+01  0.105919D+02  0.244139D+01 -0.324457D+01 -0.342548D+01
      5   0.315877D+01 -0.278671D+00  0.235324D+01 -0.145019D+01  0.545135D+00
      6   0.538383D+00  0.133323D+02  0.660336D+01 -0.142307D+01  0.299232D+01
               306           307           308           309           310 
      1  -0.496379D+01 -0.967690D+00  0.455477D+00  0.373063D+01 -0.250784D+01
      2   0.302978D+01 -0.221505D+01  0.367669D-01 -0.347009D+00  0.238094D+01
      3   0.193400D+01  0.318273D+01 -0.492244D+00 -0.338363D+01  0.126902D+00
      4  -0.426259D+00 -0.476717D+00 -0.140600D+01  0.437348D+00 -0.161070D+01
      5  -0.494578D+00  0.154162D+01 -0.733673D+00  0.313129D+01 -0.144082D+01
      6   0.187390D+01 -0.263514D+00 -0.198051D+01 -0.221239D+01 -0.145126D+01
               311           312           313           314           315 
      1  -0.474984D+01 -0.105688D+01  0.372677D+01 -0.468457D+01 -0.214706D+02
      2   0.213441D+01  0.448168D+01 -0.396321D+01 -0.371613D+00 -0.148062D+02
      3   0.261543D+01 -0.342479D+01  0.236440D+00  0.505618D+01  0.362768D+02
      4  -0.160004D+01  0.715100D+00  0.338906D+01  0.313975D+01  0.786177D+00
      5   0.308157D-01 -0.214587D+01  0.491084D+01  0.387556D+01  0.172471D+02
      6   0.171888D+01  0.329119D+01  0.135713D+01  0.715121D+01  0.165319D+02
               316           317           318           319           320 
      1   0.641975D+01 -0.350471D+01  0.663867D+00 -0.980898D+01  0.686425D+00
      2  -0.128336D+00 -0.588065D+00 -0.558200D+00  0.363098D+01  0.640944D+01
      3  -0.629142D+01  0.409278D+01 -0.105667D+00  0.617799D+01 -0.709587D+01
      4  -0.957152D+01  0.107940D+02  0.218861D+01  0.113244D+02 -0.223809D+02
      5  -0.135312D+01  0.232774D+01  0.207249D+01  0.784390D+01 -0.391910D+01
      6   0.234130D+01 -0.326546D+01 -0.163963D+01 -0.493847D+01  0.938729D+01
               321           322           323           324           325 
      1   0.175733D+01  0.650446D+01 -0.144611D+01 -0.241174D+01 -0.415609D+01
      2  -0.265837D+01 -0.344683D+01 -0.954561D+00  0.484086D+00  0.135235D+01
      3   0.901048D+00 -0.305763D+01  0.240067D+01  0.192765D+01  0.280374D+01
      4  -0.367341D+01  0.589701D+00  0.202319D+01 -0.374934D+01 -0.128124D+01
      5  -0.581226D+01 -0.223198D+00 -0.301350D+01 -0.745420D+00  0.753436D+00
      6   0.353969D+01 -0.105167D+01  0.177065D+01  0.179177D+01 -0.893864D+00
               326           327           328           329           330 
      1   0.746980D+00 -0.312011D+01  0.192227D+01 -0.145062D+01 -0.273762D+00
      2  -0.137848D+01 -0.163719D+01 -0.192912D+01 -0.155267D+01  0.922468D+00
      3   0.631496D+00  0.475730D+01  0.684815D-02  0.300329D+01 -0.648706D+00
      4   0.677135D+00  0.272321D+00  0.318777D+01 -0.904470D+00 -0.339882D+01
      5  -0.370493D+00  0.110258D+01 -0.599236D+00 -0.291711D+01  0.435121D+00
      6  -0.600967D+00  0.512884D+00 -0.145554D+01  0.109732D+01  0.533296D+01
               331           332           333 
      1  -0.325928D+01 -0.258271D+01 -0.182380D+02
      2   0.653321D+01 -0.130465D+01 -0.180369D+02
      3  -0.327392D+01  0.388736D+01  0.362749D+02
      4  -0.482201D+00 -0.403455D+01 -0.343696D+01
      5   0.827833D+01 -0.303743D+01 -0.237655D+02
      6  -0.508771D+00  0.380058D+01  0.265639D+01
 Leave Link  716 at Fri Jul 16 15:19:28 2021, MaxMem=  5637144576 cpu:               6.9 elap:               1.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.154245D+03 -0.280236D-02 -0.343580D-03
      2  -0.280236D-02  0.154242D+03 -0.299058D-02
      3  -0.343580D-03 -0.299058D-02  0.126796D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.335709D+01  0.395042D-01 -0.669582D-02
      2  -0.160560D-01 -0.334430D+01  0.389288D-02
      3  -0.701776D-02 -0.114950D-01 -0.173371D+00
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.595928D+02  0.891272D+02  0.936672D-02
      2  -0.596087D+02 -0.891248D+02 -0.166888D-01
      3   0.158580D-01 -0.238712D-02  0.732205D-02
      4   0.891087D+02 -0.596343D+02  0.265861D-02
      5  -0.156206D-01  0.517662D+01  0.414550D-02
      6  -0.517131D+01 -0.366763D-01 -0.133017D-01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=   111 ND12= 1 LenFil=    3999:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.290789D+01 -0.947501D+00 -0.261895D+01 -0.118116D+01 -0.292665D+01
      2  -0.947501D+00 -0.480835D+01  0.110891D+01 -0.292665D+01  0.771525D+01
      3  -0.261895D+01  0.110891D+01  0.816546D+00  0.390547D+00 -0.400209D+01
                 6             7             8             9            10 
      1   0.390547D+00 -0.193582D+01  0.732777D+00  0.981978D+00 -0.141981D+01
      2  -0.400209D+01  0.732777D+00 -0.261072D+01  0.957291D+00  0.389852D+01
      3   0.796524D+00  0.981978D+00  0.957291D+00  0.422735D+00  0.335487D+01
                11            12            13            14            15 
      1   0.389852D+01  0.335487D+01  0.295973D+01  0.403179D+01  0.664589D+00
      2   0.567494D+01  0.138174D+01  0.403179D+01  0.233402D+01  0.326946D+01
      3   0.138174D+01 -0.446279D+00  0.664589D+00  0.326946D+01  0.105273D+01
                16            17            18            19            20 
      1   0.255614D+01  0.760677D+00 -0.538798D+00  0.791338D+00 -0.227181D+01
      2   0.760677D+00  0.199599D+01  0.126613D+01 -0.227181D+01 -0.267311D+01
      3  -0.538798D+00  0.126613D+01 -0.422669D+00 -0.189964D+01 -0.887875D+00
                21            22            23            24            25 
      1  -0.189964D+01 -0.386436D+01 -0.562047D+01 -0.231884D+01 -0.243803D+01
      2  -0.887875D+00 -0.562047D+01 -0.705012D+01 -0.479793D+01 -0.144364D+01
      3  -0.110540D+01 -0.231884D+01 -0.479793D+01 -0.215881D+01 -0.152792D+01
                26            27            28            29            30 
      1  -0.144364D+01 -0.152792D+01 -0.127272D+01 -0.188813D+01 -0.194070D-02
      2  -0.281453D+01 -0.185563D+01 -0.188813D+01  0.123794D+01 -0.194011D+01
      3  -0.185563D+01  0.165597D+01 -0.194070D-02 -0.194011D+01 -0.580422D-02
                31            32            33            34            35 
      1  -0.190924D+01  0.127203D+01  0.195859D+01  0.200226D-01 -0.823727D-02
      2   0.127203D+01  0.191366D+01 -0.101610D-01 -0.823727D-02  0.199794D-01
      3   0.195859D+01 -0.101610D-01  0.358239D-02  0.330091D-04 -0.140448D-02
                36            37            38            39            40 
      1   0.330091D-04 -0.188383D+01  0.734873D+00  0.118933D+01  0.402567D+00
      2  -0.140448D-02  0.734873D+00 -0.556732D+00  0.607797D+00  0.277499D+01
      3   0.690848D-02  0.118933D+01  0.607797D+00  0.194284D+00 -0.825993D+00
                41            42            43            44            45 
      1   0.277499D+01 -0.825993D+00  0.146809D+01 -0.890581D+00  0.701023D+00
      2  -0.112017D+02  0.551225D+01 -0.890581D+00  0.376743D+01 -0.229672D+01
      3   0.551225D+01 -0.241177D+01  0.701023D+00 -0.229672D+01 -0.165990D+01
                46            47            48            49            50 
      1   0.523581D+01  0.543839D+01  0.433477D+01  0.274340D+01  0.338780D+01
      2   0.543839D+01  0.534504D+01  0.263811D+01  0.338780D+01  0.553302D+00
      3   0.433477D+01  0.263811D+01  0.199190D+01  0.121108D+01  0.235899D+01
                51            52            53            54            55 
      1   0.121108D+01  0.243468D+01  0.144239D+01  0.164203D+01 -0.702942D+00
      2   0.235899D+01  0.144239D+01  0.282034D+01  0.176238D+01 -0.316213D+01
      3   0.138302D+01  0.164203D+01  0.176238D+01 -0.165247D+01 -0.300439D+01
                56            57            58            59            60 
      1  -0.316213D+01 -0.300439D+01 -0.467597D+01 -0.514130D+01 -0.133527D+01
      2  -0.399417D+01 -0.614316D+00 -0.514130D+01 -0.230509D+00 -0.361427D+01
      3  -0.614316D+00 -0.109821D+01 -0.133527D+01 -0.361427D+01  0.303800D+00
                61            62            63            64            65 
      1  -0.180513D+01 -0.659805D+00 -0.132368D+01 -0.881916D+01  0.141697D+01
      2  -0.659805D+00 -0.273892D+01  0.368173D+00  0.141697D+01  0.210267D+01
      3  -0.132368D+01  0.368173D+00  0.422461D+00  0.417500D+01 -0.188062D+00
                66            67            68            69            70 
      1   0.417500D+01  0.331621D+01  0.211639D+01 -0.908030D+00  0.279022D+01
      2  -0.188062D+00  0.211639D+01 -0.227305D+01  0.244631D+01 -0.623359D+00
      3  -0.688382D+00 -0.908030D+00  0.244631D+01 -0.909954D+00 -0.826132D+00
                71            72            73            74            75 
      1  -0.623359D+00 -0.826132D+00  0.115283D+02 -0.105193D+01 -0.547008D+01
      2   0.175718D+01 -0.109848D+01 -0.105193D+01 -0.112201D+01  0.256287D+00
      3  -0.109848D+01 -0.423753D+00 -0.547008D+01  0.256287D+00  0.242821D+01
                76            77            78            79            80 
      1   0.227650D+01 -0.103498D+01 -0.116831D+01 -0.396396D+01  0.563165D+00
      2  -0.103498D+01  0.152370D+01 -0.123225D+01  0.563165D+00 -0.128032D+01
      3  -0.116831D+01 -0.123225D+01  0.111847D+00  0.237318D+01 -0.396060D+00
                81            82            83            84            85 
      1   0.237318D+01 -0.126958D+01  0.230981D+01 -0.268595D+01  0.571472D+00
      2  -0.396060D+00  0.230981D+01 -0.722625D+01  0.276812D+01 -0.438772D+01
      3   0.165790D+01 -0.268595D+01  0.276812D+01 -0.131647D+01  0.134340D+01
                86            87            88            89            90 
      1  -0.438772D+01  0.134340D+01 -0.147543D+01  0.882198D+00 -0.846952D+00
      2   0.654297D+01 -0.401695D+01  0.882198D+00 -0.379770D+01  0.224738D+01
      3  -0.401695D+01  0.203636D+01 -0.846952D+00  0.224738D+01  0.165846D+01
                91            92            93            94            95 
      1  -0.112405D+01  0.988379D+00  0.240566D+01  0.389026D-01  0.522668D+01
      2   0.988379D+00  0.359918D+01 -0.119546D+00  0.522668D+01 -0.637870D+01
      3   0.240566D+01 -0.119546D+00  0.114118D+01 -0.834778D+00  0.422024D+01
                96            97            98            99           100 
      1  -0.834778D+00  0.147369D+01 -0.133708D+00  0.136651D+01  0.797424D+01
      2   0.422024D+01 -0.133708D+00  0.307032D+01 -0.160042D+00 -0.396531D+01
      3  -0.136362D+00  0.136651D+01 -0.160042D+00 -0.427586D+00 -0.430492D+01
               101           102           103           104           105 
      1  -0.396531D+01 -0.430492D+01 -0.221841D+01 -0.211237D+01 -0.139933D+00
      2  -0.138079D+01  0.582247D+00 -0.211237D+01  0.601588D+00 -0.230991D+01
      3   0.582247D+00  0.281273D+00 -0.139933D+00 -0.230991D+01 -0.110429D+01
               106           107           108           109           110 
      1  -0.307615D+01 -0.779154D-01  0.342193D+00 -0.850329D+01  0.361719D+01
      2  -0.779154D-01 -0.146306D+01 -0.133322D+01  0.361719D+01  0.381176D+00
      3   0.342193D+00 -0.133322D+01  0.424832D+00  0.452637D+01 -0.110656D+01
               111           112           113           114           115 
      1   0.452637D+01  0.667074D+01 -0.100292D+01 -0.253756D+01  0.394924D+01
      2  -0.110656D+01 -0.100292D+01  0.838481D+00  0.217502D+01 -0.544316D+00
      3  -0.218970D+01 -0.253756D+01  0.217502D+01  0.103402D+01 -0.234360D+01
               116           117           118           119           120 
      1  -0.544316D+00 -0.234360D+01  0.118821D+02  0.186537D+00 -0.321919D+01
      2   0.125892D+01  0.540113D+00  0.186537D+00  0.970163D+00 -0.235625D-02
      3   0.540113D+00 -0.166172D+01 -0.321919D+01 -0.235625D-02  0.210037D+01
               121           122           123           124           125 
      1  -0.243084D+01  0.115826D+01  0.911807D+00 -0.326985D+01 -0.284035D-01
      2   0.115826D+01  0.154933D+00 -0.755527D+00 -0.284035D-01 -0.470677D+00
      3   0.911807D+00 -0.755527D+00 -0.262258D+00  0.260964D+01  0.198827D+00
               126           127           128           129           130 
      1   0.260964D+01  0.216701D+00  0.651215D+00 -0.936949D+00  0.111192D+01
      2   0.198827D+00  0.651215D+00 -0.687251D+00  0.228952D+00  0.503808D+00
      3  -0.154365D+01 -0.936949D+00  0.228952D+00 -0.332161D+00 -0.197907D+00
               131           132           133           134           135 
      1   0.503808D+00 -0.197907D+00 -0.136868D+01 -0.389553D+00  0.439071D+00
      2   0.472029D+01 -0.222044D+01 -0.389553D+00 -0.181900D+01  0.172767D+01
      3  -0.222044D+01  0.231380D+01  0.439071D+00  0.172767D+01 -0.221263D+01
               136           137           138           139           140 
      1   0.614529D+01  0.319877D+01  0.186583D+01  0.516280D+01  0.440683D+01
      2   0.319877D+01  0.266383D+01  0.849729D+00  0.440683D+01  0.446730D+01
      3   0.186583D+01  0.849729D+00  0.150564D+01  0.176405D+01  0.210656D+01
               141           142           143           144           145 
      1   0.176405D+01  0.225877D+01  0.134294D+01  0.219037D+01  0.220864D+01
      2   0.210656D+01  0.134294D+01  0.147872D+01  0.142996D+01 -0.925486D+00
      3   0.148607D+01  0.219037D+01  0.142996D+01  0.154291D+01  0.139998D+01
               146           147           148           149           150 
      1  -0.925486D+00  0.139998D+01 -0.201918D+01  0.165029D+01 -0.829220D+00
      2   0.990881D+00 -0.401394D+00  0.165029D+01 -0.289445D+01  0.176000D+01
      3  -0.401394D+00  0.114865D+01 -0.829220D+00  0.176000D+01 -0.203679D+01
               151           152           153           154           155 
      1   0.191544D+01 -0.318156D+00  0.140047D+01 -0.237773D+01  0.194607D+01
      2  -0.318156D+00  0.127695D+01 -0.110353D+01  0.194607D+01 -0.208628D+01
      3   0.140047D+01 -0.110353D+01  0.221150D+01 -0.978939D+00  0.383929D+00
               156           157           158           159           160 
      1  -0.978939D+00  0.309014D+01 -0.444632D+01  0.129772D+01 -0.119543D+01
      2   0.383929D+00 -0.444632D+01  0.918346D+01 -0.299823D+01  0.122632D+01
      3  -0.824187D+00  0.129772D+01 -0.299823D+01  0.195008D+01 -0.147795D+01
               161           162           163           164           165 
      1   0.122632D+01 -0.147795D+01 -0.373777D+01 -0.774474D+00 -0.188710D+01
      2  -0.254533D+01  0.216078D+01 -0.774474D+00 -0.108464D+01 -0.349815D+00
      3   0.216078D+01 -0.154463D+01 -0.188710D+01 -0.349815D+00 -0.184015D+01
               166           167           168           169           170 
      1  -0.203167D+01 -0.128106D+01 -0.776521D+00 -0.204614D+01  0.225635D-03
      2  -0.128106D+01 -0.127989D+01 -0.127516D+01  0.225635D-03 -0.114728D+01
      3  -0.776521D+00 -0.127516D+01 -0.144426D+01 -0.171725D+01 -0.484655D+00
               171           172           173           174           175 
      1  -0.171725D+01 -0.104786D+02  0.371975D+01  0.317678D+01  0.122577D+01
      2  -0.484655D+00  0.371975D+01 -0.226541D+01 -0.100513D+01 -0.143608D+01
      3  -0.221672D+01  0.317678D+01 -0.100513D+01 -0.203846D+01 -0.903372D-01
               176           177           178           179           180 
      1  -0.143608D+01 -0.903372D-01  0.283715D+01 -0.100813D+01 -0.233350D+01
      2   0.158123D+01  0.792670D+00 -0.100813D+01  0.899416D+00  0.118131D+01
      3   0.792670D+00  0.560708D+00 -0.233350D+01  0.118131D+01  0.154088D+01
               181           182           183           184           185 
      1   0.828819D+00  0.107570D+01  0.113578D+01  0.105981D+01  0.542749D+00
      2   0.107570D+01  0.182309D+01  0.677507D+00  0.542749D+00  0.418097D+01
      3   0.113578D+01  0.677507D+00  0.118857D+01  0.248774D+00  0.202381D+01
               186           187           188           189           190 
      1   0.248774D+00  0.116462D+01 -0.119472D+00  0.254636D+00 -0.306505D+01
      2   0.202381D+01 -0.119472D+00  0.203597D+01  0.176467D+01 -0.378771D+01
      3   0.201479D+01  0.254636D+00  0.176467D+01  0.221395D+01 -0.176622D+01
               191           192           193           194           195 
      1  -0.378771D+01 -0.176622D+01 -0.231595D+01 -0.316202D+01 -0.837810D+00
      2  -0.533289D+01 -0.175162D+01 -0.316202D+01 -0.767597D+01 -0.221011D+01
      3  -0.175162D+01 -0.127833D+01 -0.837810D+00 -0.221011D+01 -0.168852D+01
               196           197           198           199           200 
      1  -0.114633D+01 -0.119826D+01 -0.113298D+01  0.344305D+01 -0.160260D+01
      2  -0.119826D+01 -0.259455D+01 -0.235933D+01 -0.160260D+01  0.184755D+01
      3  -0.113298D+01 -0.235933D+01 -0.154405D+01 -0.191389D+01  0.761736D+00
               201           202           203           204           205 
      1  -0.191389D+01 -0.804182D+00  0.848509D+00  0.333942D+00 -0.137149D+01
      2   0.761736D+00  0.848509D+00 -0.171022D+01 -0.124501D+01  0.389256D+00
      3   0.217019D+01  0.333942D+00 -0.124501D+01 -0.870957D+00  0.127699D+01
               206           207           208           209           210 
      1   0.389256D+00  0.127699D+01  0.331800D+00 -0.160135D+01  0.913920D+00
      2  -0.182341D+01 -0.124556D+01 -0.160135D+01  0.360144D+01 -0.121361D+01
      3  -0.124556D+01 -0.221579D+01  0.913920D+00 -0.121361D+01  0.533001D+00
               211           212           213           214           215 
      1  -0.107398D+01  0.102990D+01 -0.300201D+00  0.510405D+00 -0.333428D+00
      2   0.102990D+01 -0.113755D+02  0.305699D+01 -0.333428D+00  0.322664D+01
      3  -0.300201D+00  0.305699D+01 -0.204579D+01  0.142713D+00 -0.261088D+01
               216           217           218           219           220 
      1   0.142713D+00 -0.460616D+01 -0.880967D+00  0.220402D+01  0.235271D+00
      2  -0.261088D+01 -0.880967D+00 -0.125433D+01  0.365552D+00 -0.635909D+00
      3   0.154087D+01  0.220402D+01  0.365552D+00 -0.233947D+01 -0.621180D-01
               221           222           223           224           225 
      1  -0.635909D+00 -0.621180D-01  0.171555D+01  0.436689D+00 -0.165645D+01
      2  -0.553849D+00  0.957254D+00  0.436689D+00  0.148668D+01 -0.661461D+00
      3   0.957254D+00  0.237391D-01 -0.165645D+01 -0.661461D+00  0.221471D+01
               226           227           228           229           230 
      1   0.522547D+01 -0.178638D+01  0.820143D+00 -0.191616D+01  0.103754D+01
      2  -0.178638D+01  0.336235D+01 -0.126200D+01  0.103754D+01 -0.448017D+00
      3   0.820143D+00 -0.126200D+01  0.133264D+01 -0.176244D+00 -0.573354D+00
               231           232           233           234           235 
      1  -0.176244D+00  0.409299D-01  0.102068D+00  0.603155D+00  0.653250D+00
      2  -0.573354D+00  0.102068D+00 -0.195498D+01  0.470868D+00 -0.400681D+00
      3  -0.906619D-01  0.603155D+00  0.470868D+00  0.243987D+00  0.711317D+00
               236           237           238           239           240 
      1  -0.400681D+00  0.711317D+00 -0.490180D+00 -0.461209D+00  0.232586D+00
      2  -0.980685D+00  0.306915D+00 -0.461209D+00  0.134411D+01 -0.150307D+00
      3   0.306915D+00 -0.192631D+00  0.232586D+00 -0.150307D+00  0.676617D+00
               241           242           243           244           245 
      1   0.952575D+00 -0.823230D-01  0.991768D+00 -0.667348D+01 -0.632757D+00
      2  -0.823230D-01  0.201757D+01 -0.121692D+01 -0.632757D+00 -0.216804D+01
      3   0.991768D+00 -0.121692D+01  0.731286D+01 -0.112076D+01 -0.555735D+00
               246           247           248           249           250 
      1  -0.112076D+01  0.131692D+00  0.353249D-01  0.528803D+00  0.328665D+00
      2  -0.555735D+00  0.353249D-01  0.977291D+00  0.879313D+00  0.780895D+00
      3  -0.126506D+01  0.528803D+00  0.879313D+00  0.429552D+00 -0.374946D+00
               251           252           253           254           255 
      1   0.780895D+00 -0.374946D+00 -0.606532D+00  0.644439D+00 -0.393880D+00
      2   0.159478D+01  0.667659D+00  0.644439D+00  0.123067D+01  0.532072D+00
      3   0.667659D+00 -0.238050D+00 -0.393880D+00  0.532072D+00  0.434066D+00
               256           257           258           259           260 
      1   0.362536D+00  0.786720D+00  0.458204D+00 -0.116765D+01 -0.435275D+00
      2   0.786720D+00  0.294074D+00 -0.166538D+00 -0.435275D+00 -0.180197D+01
      3   0.458204D+00 -0.166538D+00  0.551368D+00 -0.138555D+01 -0.742882D+00
               261           262           263           264           265 
      1  -0.138555D+01 -0.416320D+01 -0.184771D+01  0.398293D+00 -0.380119D+01
      2  -0.742882D+00 -0.184771D+01 -0.216579D+01  0.420332D+00 -0.892554D+00
      3  -0.731238D+01  0.398293D+00  0.420332D+00 -0.743389D+00  0.150717D+01
               266           267           268           269           270 
      1  -0.892554D+00  0.150717D+01 -0.154824D+01  0.814851D+00  0.106120D+00
      2  -0.247182D+01 -0.148731D+00  0.814851D+00 -0.372903D+00 -0.757409D+00
      3  -0.148731D+00 -0.111155D+01  0.106120D+00 -0.757409D+00  0.242547D+00
               271           272           273           274           275 
      1   0.122224D+01 -0.941292D+00 -0.169930D+00 -0.444809D+00 -0.505389D+00
      2  -0.941292D+00 -0.322663D+00  0.276061D+00 -0.505389D+00  0.305153D+00
      3  -0.169930D+00  0.276061D+00  0.685461D+00  0.201080D+00  0.729069D+00
               276           277           278           279           280 
      1   0.201080D+00  0.182292D+01 -0.418444D+00 -0.154726D+01  0.200680D+01
      2   0.729069D+00 -0.418444D+00  0.114675D+01 -0.247597D+00  0.485158D+00
      3  -0.170158D+00 -0.154726D+01 -0.247597D+00  0.731292D+01  0.390449D+00
               281           282           283           284           285 
      1   0.485158D+00  0.390449D+00  0.199740D+01  0.160675D+01 -0.315102D+00
      2   0.337296D+01 -0.139876D+01  0.160675D+01  0.509503D+01 -0.630485D+00
      3  -0.139876D+01  0.100394D+01 -0.315102D+00 -0.630485D+00  0.878664D+00
               286           287           288           289           290 
      1   0.601742D+00 -0.937821D+00  0.765399D+00 -0.422031D+00  0.242757D+00
      2  -0.937821D+00  0.132612D+01 -0.854602D-02  0.242757D+00  0.687719D+00
      3   0.765399D+00 -0.854602D-02 -0.238509D+00 -0.653325D+00 -0.310044D+00
               291           292           293           294           295 
      1  -0.653325D+00 -0.775334D-03  0.114978D+01 -0.382961D+00 -0.126646D+01
      2  -0.310044D+00  0.114978D+01 -0.865727D+00  0.886404D-01  0.491890D+00
      3   0.264313D+00 -0.382961D+00  0.886404D-01 -0.646792D+00  0.511408D-01
               296           297           298           299           300 
      1   0.491890D+00  0.511408D-01 -0.122067D+01 -0.142897D+00 -0.846034D+00
      2  -0.170530D+01  0.157471D+01 -0.142897D+00 -0.103866D+01 -0.788470D+00
      3   0.157471D+01 -0.731231D+01 -0.846034D+00 -0.788470D+00 -0.590799D+00
               301           302           303           304           305 
      1   0.193201D+01  0.162863D-01  0.298954D+00 -0.137029D+01 -0.917646D+00
      2   0.162863D-01  0.667790D+01  0.109721D+01 -0.917646D+00 -0.542771D+00
      3   0.298954D+00  0.109721D+01  0.119913D+01 -0.709141D+00  0.285290D+00
               306           307           308           309           310 
      1  -0.709141D+00  0.355543D-01 -0.633501D+00  0.297381D+00 -0.104229D+01
      2   0.285290D+00 -0.633501D+00 -0.616732D+00 -0.470994D+00 -0.952022D+00
      3   0.242757D+00  0.297381D+00 -0.470994D+00 -0.491349D+00 -0.546432D+00
               311           312           313           314           315 
      1  -0.952022D+00 -0.546432D+00  0.167819D+01  0.501136D+00  0.557340D+00
      2   0.326676D+00  0.260371D+00  0.501136D+00  0.129010D+01  0.146173D+01
      3   0.260371D+00 -0.511137D+00  0.557340D+00  0.146173D+01  0.731289D+01
               316           317           318           319           320 
      1   0.123326D+01 -0.143877D+01  0.366329D+00 -0.372195D+01  0.179404D+01
      2  -0.143877D+01  0.222817D+01  0.331008D+00  0.179404D+01 -0.448034D+01
      3   0.366329D+00  0.331008D+00  0.261399D+00  0.141756D+01 -0.611384D+00
               321           322           323           324           325 
      1   0.141756D+01  0.194651D+01  0.157669D+00 -0.388690D+00 -0.152390D+01
      2  -0.611384D+00  0.157669D+00 -0.366317D-01 -0.659674D+00  0.128834D+00
      3  -0.130883D+01 -0.388690D+00 -0.659674D+00 -0.242444D+00  0.205874D+00
               326           327           328           329           330 
      1   0.128834D+00  0.205874D+00  0.653440D+00  0.622504D+00 -0.185297D+00
      2   0.645003D+00 -0.110610D+00  0.622504D+00 -0.441565D+00 -0.765295D+00
      3  -0.110610D+00 -0.695406D+00 -0.185297D+00 -0.765295D+00  0.102485D+00
               331           332           333 
      1  -0.202046D+01 -0.566780D-01  0.133503D+01
      2  -0.566780D-01 -0.949811D+00 -0.824959D+00
      3   0.133503D+01 -0.824959D+00 -0.731279D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.111009D+02 -0.567070D+01  0.532045D+01 -0.515053D+01  0.609744D+00
      2   0.250293D+00  0.246048D+01  0.333933D+01  0.162219D+01  0.176562D+01
      3  -0.925077D+01  0.162708D+01  0.941959D+01  0.594282D+01  0.682879D+01
                 6             7             8             9            10 
      1  -0.909603D+01 -0.228690D+00 -0.227470D+01 -0.140378D+00  0.476226D+01
      2   0.102826D+01  0.430591D+00 -0.484596D+00 -0.410537D+00 -0.303618D+01
      3   0.157871D+01  0.101458D+02  0.174115D+01 -0.327273D+01  0.958306D+01
                11            12            13            14            15 
      1  -0.807812D+01 -0.673725D+01 -0.730201D+01  0.572837D+01 -0.674672D+01
      2   0.192570D+01  0.570673D+01  0.248842D+01  0.868385D+00  0.368585D+00
      3  -0.516697D+01 -0.810063D+01 -0.812105D+00 -0.714860D+01  0.506487D+01
                16            17            18            19            20 
      1  -0.391026D+00 -0.191152D+01 -0.408377D-01  0.451309D+00 -0.126470D+01
      2   0.799660D+00  0.109418D+01 -0.435631D+00  0.188164D+02  0.132751D+02
      3  -0.870758D+01  0.548530D+01  0.327686D+01 -0.209753D+02 -0.171818D+02
                21            22            23            24            25 
      1   0.318216D+01 -0.821181D+00 -0.142849D+02  0.223543D+01  0.110060D+02
      2   0.868201D+01  0.417911D+01 -0.530024D+00 -0.302025D+01 -0.970222D+01
      3  -0.849681D+01  0.674160D+00  0.130768D+02  0.187201D+01 -0.301750D+01
                26            27            28            29            30 
      1   0.180805D+02  0.179833D+02  0.208922D+01  0.331708D+01  0.753451D-01
      2  -0.114982D+02 -0.161493D+02  0.294946D+01 -0.207320D+01 -0.140182D+01
      3   0.260651D+01 -0.787507D+00 -0.111516D+00  0.350716D+00 -0.333448D-01
                31            32            33            34            35 
      1   0.298741D+01 -0.214073D+01  0.141704D+01  0.161125D+00  0.480916D+00
      2  -0.205925D+01 -0.318189D+01  0.110492D+00 -0.217279D+00 -0.114479D-01
      3  -0.428351D+00 -0.216586D-01  0.178250D+00  0.889834D-01  0.987135D-01
                36            37            38            39            40 
      1  -0.906550D-01  0.464501D+01 -0.276913D+01  0.155073D+01  0.105946D+01
      2  -0.214350D+00  0.871678D+01 -0.178275D+02  0.926819D+01 -0.960622D+01
      3  -0.116814D+00  0.101628D+02 -0.268143D+02  0.857661D+01 -0.898155D+01
                41            42            43            44            45 
      1   0.150210D+02  0.289847D+01 -0.477653D+01  0.248683D+02 -0.228344D+02
      2   0.293706D+01 -0.176863D+01 -0.298000D+01  0.522232D+01 -0.798282D+01
      3  -0.212677D+01 -0.154203D+01  0.379420D+01  0.123340D+01  0.817749D+00
                46            47            48            49            50 
      1   0.607040D+00 -0.172861D+01  0.429488D+01 -0.107853D+02 -0.205472D+02
      2   0.139608D+02  0.252667D+01 -0.122935D+01  0.169811D+01 -0.266814D+01
      3  -0.145684D+02 -0.536448D+01 -0.296720D+01  0.125402D+02  0.224774D+02
                51            52            53            54            55 
      1  -0.772034D+01  0.122174D+02  0.127807D+02  0.183316D+02  0.772737D+00
      2  -0.445390D+01 -0.151525D+02 -0.117505D+02 -0.157435D+02 -0.764475D+01
      3   0.819688D+01 -0.292640D+01  0.265074D+01  0.796198D+00  0.608078D+01
                56            57            58            59            60 
      1  -0.380389D+01 -0.396102D+00 -0.334366D+01  0.272646D+01 -0.663867D+01
      2   0.646749D+01  0.579569D+01  0.732091D+01 -0.243833D+01  0.674596D+01
      3   0.290952D+01 -0.607089D+01  0.725555D+01 -0.850811D+01  0.735920D+01
                61            62            63            64            65 
      1  -0.121545D+01 -0.997405D+00  0.424429D+00 -0.948637D+00 -0.218033D+01
      2   0.168722D+01  0.505817D+00  0.100893D+00 -0.193160D+01  0.318959D+01
      3  -0.657949D+01  0.790593D+01 -0.327769D+01 -0.554228D+01 -0.790709D+01
                66            67            68            69            70 
      1  -0.183826D+01 -0.308323D+01 -0.238829D+01 -0.289171D+01  0.228639D+00
      2   0.954191D+01  0.360742D+01  0.120709D+02 -0.450507D+01  0.227683D+01
      3  -0.343523D+00 -0.356102D+01  0.799815D+01 -0.953066D+01 -0.410834D+00
                71            72            73            74            75 
      1  -0.433854D+00  0.396412D+00 -0.449039D+01  0.101155D+02  0.318162D+01
      2   0.458534D+00  0.181580D+00 -0.157883D+02 -0.108799D+01 -0.222678D+01
      3  -0.102761D+02  0.329359D+01 -0.252872D+01  0.995983D+01  0.255878D+01
                76            77            78            79            80 
      1   0.178007D+02 -0.435479D+01 -0.863575D+01 -0.219674D+01  0.202140D+01
      2   0.365588D+01 -0.518677D+01 -0.312716D+01 -0.258474D+02  0.164096D+01
      3   0.277826D+02 -0.526067D+01 -0.833626D+01 -0.710725D+00 -0.398555D+01
                81            82            83            84            85 
      1   0.504272D+01  0.204751D+01  0.396304D+01 -0.616096D+01 -0.399356D+01
      2   0.237050D+02  0.100319D+02 -0.100915D+02  0.318758D+01 -0.587068D+01
      3  -0.752723D+00  0.117431D+02 -0.194839D+02  0.589043D+01 -0.167380D+01
                86            87            88            89            90 
      1   0.207333D+02 -0.325165D+01 -0.953003D+01  0.215799D+02 -0.229661D+02
      2  -0.721478D+01  0.631260D+01 -0.627764D+01  0.906470D+01 -0.749568D+01
      3  -0.195933D+02  0.640422D+01  0.372669D+01  0.132234D+01 -0.808482D+00
                91            92            93            94            95 
      1  -0.779538D+01 -0.420226D+01 -0.957398D+00 -0.408951D+01  0.705794D+00
      2  -0.946003D+01 -0.113558D+01  0.340569D+01 -0.207408D+01  0.154430D+01
      3  -0.357677D+00  0.651855D+01  0.844291D+01  0.108887D+02  0.285446D+01
                96            97            98            99           100 
      1  -0.905089D+01  0.118157D+01 -0.172126D+01 -0.353681D+00 -0.153064D+01
      2  -0.542648D+01  0.955502D+00 -0.503037D+00  0.268067D+00 -0.186884D+01
      3   0.446054D+01  0.909432D+01  0.480476D+01  0.330360D+01 -0.482668D+00
               101           102           103           104           105 
      1   0.212368D+00  0.461076D+01 -0.775634D+00  0.849114D+01 -0.289728D+01
      2   0.289695D+01  0.953310D+01  0.285373D+01  0.993097D+01  0.177247D+01
      3  -0.110271D+02 -0.332285D+01 -0.670465D+01 -0.197117D+01 -0.893109D+01
               106           107           108           109           110 
      1   0.396549D+00 -0.775541D+00 -0.313921D+00  0.746870D+01  0.757796D+01
      2   0.194184D+01 -0.108161D+01  0.301487D+00 -0.195512D+02  0.258480D+01
      3  -0.353547D+01 -0.966459D+01 -0.329801D+01  0.164015D+02  0.536447D+01
               111           112           113           114           115 
      1  -0.620498D+01  0.128607D+02 -0.728240D+01 -0.485821D+01 -0.681841D+01
      2   0.160005D+01 -0.477351D+01 -0.331417D+01  0.596582D+01 -0.237721D+02
      3  -0.562162D+01  0.233038D+02 -0.845590D+01 -0.674656D+01 -0.941090D+00
               116           117           118           119           120 
      1   0.414856D+01  0.454654D+01  0.113866D+01 -0.161819D+01 -0.181542D+01
      2   0.727847D+01  0.238694D+02  0.295441D+01  0.954827D+00  0.546706D+01
      3  -0.397282D+01  0.823337D+00  0.688428D+01 -0.544100D+01 -0.285137D+01
               121           122           123           124           125 
      1  -0.262422D+00  0.107167D+01 -0.309840D+00 -0.129168D+01  0.138557D+01
      2  -0.341498D+01 -0.187101D+01  0.599447D+00  0.264554D+01 -0.341263D+00
      3  -0.218939D+01  0.177126D+01  0.245869D+01 -0.726408D+00  0.298372D+01
               126           127           128           129           130 
      1   0.773262D+00  0.718818D+00  0.102619D+01  0.738585D+00 -0.166295D+00
      2  -0.258854D+01 -0.439827D+01  0.146202D+01 -0.229052D+01  0.841643D+00
      3   0.102042D+01 -0.338337D+01  0.335833D+01 -0.194863D+01  0.259414D+01
               131           132           133           134           135 
      1  -0.309314D+01 -0.186865D+01 -0.881211D-01  0.113179D+01  0.862530D+00
      2  -0.679998D+01  0.761486D+01 -0.198850D+01  0.543470D+01 -0.638143D+01
      3  -0.150811D+02  0.712141D+01 -0.455027D+00  0.574524D+01 -0.580407D+01
               136           137           138           139           140 
      1   0.152519D+00  0.103950D+01 -0.156802D+01  0.262691D+01  0.226521D+01
      2   0.141843D+00  0.211807D+00  0.472066D+01 -0.408155D+01  0.344299D+00
      3  -0.131446D+01 -0.508703D+01 -0.767556D+00 -0.184068D+01 -0.736394D+01
               141           142           143           144           145 
      1  -0.105402D+01 -0.100321D+01  0.353022D+00 -0.957667D+00 -0.275548D+01
      2   0.278622D+01  0.160946D+01  0.264185D+01  0.252133D+01  0.313452D+01
      3  -0.368839D+01  0.123345D+01 -0.281132D+01 -0.102561D+01  0.482755D+01
               146           147           148           149           150 
      1   0.125831D+01 -0.126861D+01  0.256000D+01 -0.593081D+01  0.299491D+01
      2   0.241210D+00  0.258507D+01  0.488774D+00  0.430049D+01 -0.707655D+01
      3  -0.453645D+01  0.278943D+01 -0.526938D+01  0.136165D+02 -0.684092D+01
               151           152           153           154           155 
      1  -0.153916D+01  0.412131D+01 -0.319480D+01  0.135454D+01 -0.490759D+00
      2   0.100713D+01 -0.380293D+01  0.558556D+01  0.109444D+01 -0.550608D+00
      3   0.312674D+01 -0.485191D+01  0.579989D+01 -0.259982D+00 -0.192242D+01
               156           157           158           159           160 
      1   0.222612D+01  0.261105D+01 -0.340507D+01 -0.313093D+01  0.117024D+01
      2   0.264208D+01  0.280673D+01  0.262665D+00 -0.344275D+01  0.344022D-01
      3  -0.705228D+00  0.133077D+01  0.889688D+01 -0.369564D+01 -0.222220D+01
               161           162           163           164           165 
      1  -0.123199D+01  0.185940D+01  0.539470D+01  0.178587D+01  0.409747D+01
      2  -0.280243D+01  0.196780D+01  0.107144D+01 -0.448160D+00  0.381877D+01
      3  -0.212168D+01  0.102057D+01 -0.957564D+01 -0.619607D+01 -0.519453D+01
               166           167           168           169           170 
      1   0.290101D+01  0.548340D+01  0.423470D+01  0.368777D+01  0.417572D+01
      2  -0.116213D+01  0.246682D+01  0.425155D+01  0.104554D+01  0.166659D+01
      3  -0.693061D+01 -0.886368D+01 -0.524943D+01 -0.475311D+01 -0.327606D+01
               171           172           173           174           175 
      1   0.510735D+01 -0.461405D+00 -0.237530D+01  0.328129D+01  0.555609D+00
      2   0.395159D+01  0.357592D+01 -0.228894D+01  0.385498D+01  0.123695D+01
      3  -0.581102D+01 -0.885211D+01 -0.251416D+01  0.357509D+01  0.738555D+00
               176           177           178           179           180 
      1  -0.116573D+01 -0.192136D+01  0.257643D+01  0.459135D+00 -0.169776D+01
      2  -0.172121D+01 -0.207078D+01  0.171489D+01 -0.940647D+00 -0.208398D+01
      3   0.171666D+00  0.117598D+01  0.181475D+01  0.247607D+01 -0.102220D+01
               181           182           183           184           185 
      1  -0.198669D+01  0.130760D+01 -0.319940D+01  0.445846D+00 -0.818759D-01
      2  -0.519789D+01 -0.269661D+01 -0.411292D+01 -0.169045D+01 -0.606387D+01
      3   0.718122D+01  0.663985D+01  0.453159D+01  0.592343D+01  0.112731D+02
               186           187           188           189           190 
      1  -0.372051D+01 -0.102432D+01 -0.688434D+00 -0.325393D+01 -0.604892D+00
      2  -0.514583D+01 -0.382315D+01 -0.432629D+01 -0.556820D+01 -0.184968D+01
      3   0.584278D+01  0.264350D+01  0.514226D+01  0.580395D+01  0.635685D+01
               191           192           193           194           195 
      1   0.432559D+01 -0.223967D+01 -0.138329D+00  0.441081D+00 -0.522355D+01
      2  -0.229084D+01  0.553528D+00 -0.127982D+01 -0.607917D+00  0.102168D+01
      3   0.249323D+01  0.355612D+01  0.574536D+01  0.229864D+01  0.124011D+01
               196           197           198           199           200 
      1  -0.232535D+01 -0.204507D+01 -0.262605D+01 -0.499072D+01 -0.350442D+00
      2  -0.789418D+00  0.692096D+00  0.622670D+00  0.579821D+01 -0.213651D+01
      3   0.294776D+01 -0.862012D+00  0.102072D+01 -0.147537D+02  0.394515D+01
               201           202           203           204           205 
      1   0.770097D+01 -0.286500D+00 -0.353412D+01 -0.173355D+01  0.442640D+01
      2  -0.215401D+01 -0.800433D+00  0.188365D+01  0.653224D+00 -0.374185D+01
      3   0.714657D+01  0.320062D+01 -0.372091D+01 -0.187291D+01  0.521358D+01
               206           207           208           209           210 
      1  -0.612596D+00 -0.597226D+01  0.162916D+01  0.393633D+01  0.108878D+00
      2   0.923586D+00  0.244279D+01 -0.111305D+01  0.757539D+00  0.865399D-01
      3  -0.247785D+01 -0.580489D+01 -0.285051D+01  0.272085D+01 -0.280695D+01
               211           212           213           214           215 
      1  -0.575978D+00 -0.242375D+01 -0.568760D+01  0.878813D+00 -0.269909D+01
      2   0.153241D+01 -0.121895D+01  0.110703D+01 -0.143940D+01  0.757838D+00
      3   0.597514D+01 -0.582013D+01  0.250581D+01 -0.305143D+01  0.333012D+00
               216           217           218           219           220 
      1   0.265916D+01  0.660597D+01 -0.587258D+00 -0.805195D+01 -0.102299D+01
      2  -0.430008D+00  0.404160D+01  0.598965D+00  0.922110D+00 -0.645512D+00
      3  -0.102084D+01  0.156828D+02 -0.100905D+01 -0.732405D+01 -0.170822D+01
               221           222           223           224           225 
      1   0.418364D+01  0.131081D+01 -0.546025D+01  0.127475D+01  0.645583D+01
      2  -0.218055D+00 -0.298150D+00 -0.186799D+01  0.103966D+00 -0.396400D-01
      3   0.277464D+01  0.999099D+00 -0.578105D+01 -0.270892D+00  0.580962D+01
               226           227           228           229           230 
      1  -0.472238D+00  0.372422D+01  0.884080D+00  0.114355D+01  0.574551D+00
      2  -0.896934D+01  0.348927D+01 -0.208145D+00  0.122801D+01 -0.401262D+00
      3  -0.118762D+02  0.135705D+01 -0.194183D+01  0.194923D+01 -0.945760D+00
               231           232           233           234           235 
      1  -0.182274D+01  0.186574D+01 -0.246841D+01  0.767968D+00  0.179760D+01
      2  -0.577585D+00  0.139699D+01 -0.184115D+01 -0.322611D+00  0.275391D-01
      3  -0.392520D+00  0.180687D+01 -0.672004D-02 -0.650702D+00 -0.556922D+00
               236           237           238           239           240 
      1  -0.315441D+00 -0.379606D+00  0.121482D+01  0.906599D+00  0.293024D+01
      2   0.529992D+00 -0.124661D+01  0.168749D+00 -0.187551D+01  0.155505D+01
      3  -0.189342D+00 -0.180031D+01  0.373988D+00 -0.171840D+01 -0.152887D+00
               241           242           243           244           245 
      1   0.275713D+01  0.845716D+00  0.153806D+02 -0.171974D+01  0.257002D+01
      2  -0.154649D+01 -0.146866D+01  0.431968D+01 -0.942489D+01 -0.855948D+00
      3  -0.195284D+01 -0.192925D+01 -0.168010D+01  0.114193D+02 -0.299246D+01
               246           247           248           249           250 
      1  -0.135991D+01  0.101621D+01 -0.192797D+01 -0.986833D+00 -0.170598D+01
      2   0.554016D+00  0.229783D+01  0.814201D+00  0.106445D+01  0.287226D+01
      3   0.168089D+01 -0.242775D+01  0.136820D+01 -0.110089D+01 -0.169171D+01
               251           252           253           254           255 
      1  -0.973516D+00 -0.813656D+00 -0.141787D+01 -0.534435D+00  0.687362D+00
      2   0.167464D+01 -0.170841D-01  0.436382D-01 -0.985240D+00 -0.217305D+01
      3   0.693503D+00  0.660202D+00  0.813415D+00  0.193976D+00  0.159835D+01
               256           257           258           259           260 
      1   0.101165D+01 -0.171089D+01  0.199366D+01 -0.239203D+01  0.246499D+01
      2  -0.120025D+01 -0.737087D+00 -0.187594D+01  0.867069D-01  0.109084D+01
      3   0.755579D+00  0.145617D+01 -0.832199D+00  0.105629D+01 -0.253950D+01
               261           262           263           264           265 
      1  -0.125496D+02 -0.309584D+01 -0.302541D+01  0.705962D+00 -0.373347D+01
      2   0.986042D+01  0.386156D+01  0.213684D+01  0.187570D+01  0.556171D+01
      3   0.169293D+01 -0.515231D+01 -0.579890D+01  0.692637D+00 -0.525693D+01
               266           267           268           269           270 
      1  -0.509334D+01  0.355575D+00 -0.441579D+00 -0.323280D-01 -0.659788D+00
      2   0.731506D+00 -0.365209D+00  0.377371D+01  0.500779D+00 -0.471311D+00
      3  -0.774862D+01  0.188763D+01 -0.904584D+00 -0.159575D+01 -0.674224D+00
               271           272           273           274           275 
      1  -0.181900D+01  0.102203D+01  0.349486D+00 -0.573580D-01 -0.110470D+01
      2   0.195339D+00  0.827065D-01 -0.335351D+01 -0.102368D+01 -0.162235D+01
      3  -0.149774D+01  0.165635D+00  0.765939D+00  0.733938D+00 -0.776368D+00
               276           277           278           279           280 
      1   0.823637D+00 -0.133405D+00  0.321056D+01 -0.395439D+01 -0.341189D+00
      2   0.830442D+00  0.809134D+00  0.142144D+01 -0.154639D+02  0.414500D+01
      3   0.162924D+01 -0.706609D+00  0.265173D+01 -0.167424D+01  0.621401D+01
               281           282           283           284           285 
      1  -0.550404D+01  0.631214D+00 -0.195653D+01 -0.529172D+01 -0.168798D+01
      2   0.320675D+01 -0.166039D+00  0.293858D+01  0.329746D+01 -0.951315D+00
      3   0.542119D+01 -0.178904D+01  0.595152D+01  0.657027D+01 -0.916492D+00
               286           287           288           289           290 
      1  -0.100103D-01 -0.386175D+01  0.380497D+00  0.128046D+01  0.124132D+01
      2  -0.939268D-02 -0.295655D-01  0.712178D+00  0.141682D+01  0.163498D+00
      3   0.145030D+01  0.113553D+01  0.659979D+00  0.894861D+00 -0.803178D+00
               291           292           293           294           295 
      1  -0.116866D+01  0.269478D+00 -0.301004D+00  0.322824D+01 -0.880569D+00
      2  -0.935544D+00 -0.105970D+01  0.167180D+01 -0.309517D-01 -0.333411D+01
      3  -0.152325D+01 -0.234737D+00  0.137607D+01 -0.964092D+00 -0.272280D+01
               296           297           298           299           300 
      1  -0.967627D+00  0.148187D+02 -0.757363D+00 -0.345103D+01 -0.106707D+01
      2  -0.425437D+00  0.593998D+01  0.232769D+01 -0.138613D+01  0.664603D+00
      3   0.347065D+00  0.169807D+01 -0.225652D+01  0.362770D+01  0.130906D+01
               301           302           303           304           305 
      1  -0.963694D-01  0.880811D+01 -0.853129D+00 -0.136644D+01 -0.327635D+01
      2  -0.250860D+01  0.243127D+01  0.138573D+01  0.571290D+00  0.141031D+01
      3   0.416610D+01 -0.105499D+02 -0.154307D+01 -0.901777D+00  0.158758D+01
               306           307           308           309           310 
      1  -0.887907D-01  0.203745D+00  0.136991D+01  0.180790D+01  0.955129D+00
      2   0.812155D+00  0.187429D+01 -0.793538D+00 -0.167259D+01  0.723255D+00
      3  -0.664414D+00 -0.134466D+01 -0.828065D+00  0.102777D+01 -0.254368D+00
               311           312           313           314           315 
      1   0.207866D-01  0.251979D+01 -0.699191D+00 -0.441522D+00 -0.114176D+02
      2   0.139060D+01 -0.633089D+00 -0.288706D+01  0.199022D+01  0.111593D+02
      3  -0.918830D+00 -0.147970D+01  0.264776D+01 -0.716203D+00 -0.167382D+01
               316           317           318           319           320 
      1   0.112513D+01 -0.205463D+01  0.285193D+00 -0.401517D+01  0.811765D+01
      2   0.281861D+00 -0.144413D+01  0.192318D+01 -0.438150D+01  0.820499D+00
      3   0.151253D+01 -0.327085D+01  0.126971D+00 -0.273505D+01  0.112178D+02
               321           322           323           324           325 
      1   0.425664D+00  0.164938D+01 -0.910638D+00  0.405681D+00  0.204331D+01
      2  -0.536900D+00  0.291608D+01 -0.165385D+01 -0.720565D+00 -0.479958D+00
      3   0.204256D+01  0.251814D+00 -0.177181D+01  0.638880D+00  0.173196D+01
               326           327           328           329           330 
      1   0.211904D+00 -0.130717D+01 -0.361424D+00  0.175187D+00  0.101626D+01
      2  -0.107097D+01 -0.315417D+01  0.381919D+00 -0.186119D+01  0.132670D+00
      3  -0.250555D+00 -0.778758D-01  0.316209D+00  0.564573D+00  0.179797D+01
               331           332           333 
      1   0.131638D+01  0.207271D+01 -0.227090D+01
      2  -0.332009D+00 -0.260962D+01 -0.158031D+02
      3   0.165580D+01  0.218550D+01  0.168352D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.660221D+01 -0.137836D+02  0.781336D+01 -0.977451D+01  0.302609D+02
      2   0.108846D+02  0.247634D+02 -0.859151D+01  0.183637D+02 -0.443392D+02
      3  -0.428240D+01 -0.109798D+02  0.778142D+00 -0.858920D+01  0.140783D+02
      4  -0.100157D+02  0.599358D+01  0.127546D+02  0.632960D+01  0.120664D+02
      5   0.834697D+01  0.432724D+00 -0.767521D+01 -0.288943D+01 -0.303714D+01
      6   0.143557D+02 -0.890302D+01 -0.552331D+01 -0.391442D+01  0.266474D+02
                 6             7             8             9            10 
      1  -0.137341D+02  0.650033D+01 -0.870645D+01 -0.114393D+01  0.121433D+02
      2   0.254993D+02 -0.685151D+01  0.172506D+02 -0.291022D+01 -0.174559D+02
      3  -0.117652D+02  0.351185D+00 -0.854416D+01  0.405415D+01  0.531262D+01
      4   0.269691D+00  0.107614D+02 -0.230556D+01 -0.406016D+01  0.937231D+00
      5  -0.891923D+00 -0.641548D+01 -0.196362D+00  0.991463D+00 -0.955095D+00
      6  -0.691208D+01 -0.369444D+01 -0.720180D+01 -0.291178D+01 -0.220174D+02
                11            12            13            14            15 
      1   0.118025D+02 -0.208427D+00  0.957040D+01  0.166620D+01  0.893460D+01
      2  -0.263961D+02 -0.503807D+01 -0.217845D+02 -0.610989D+01 -0.194938D+02
      3   0.145936D+02  0.524650D+01  0.122141D+02  0.444369D+01  0.105592D+02
      4  -0.242482D+02 -0.189447D+02 -0.203304D+02 -0.225855D+02 -0.699315D+01
      5  -0.881191D+01 -0.530301D+01 -0.383118D+01 -0.986085D+01  0.202968D+00
      6  -0.868445D+01  0.483065D+01 -0.535574D+01 -0.179065D+02 -0.931546D+01
                16            17            18            19            20 
      1  -0.158230D+01  0.420001D+01  0.148461D+01 -0.183754D+02 -0.499845D+01
      2  -0.203091D+01 -0.119615D+02 -0.556010D+01  0.124266D+02  0.702988D+01
      3   0.361321D+01  0.776146D+01  0.407549D+01  0.594885D+01 -0.203143D+01
      4  -0.155383D+02 -0.529069D+01  0.222589D+01 -0.803570D+01  0.504190D+01
      5  -0.515996D+01 -0.663993D+00  0.203238D+01 -0.447917D+01  0.256171D+01
      6   0.283232D+01 -0.849533D+01  0.230568D+01  0.464621D+01  0.267413D+01
                21            22            23            24            25 
      1  -0.245616D+01 -0.100746D+02 -0.132504D+02 -0.110365D+02 -0.102348D+01
      2   0.390689D+00  0.150583D+02  0.130795D+02  0.130511D+02  0.207681D+01
      3   0.206547D+01 -0.498369D+01  0.170823D+00 -0.201453D+01 -0.105333D+01
      4   0.197955D+01  0.786781D+01  0.112160D+02  0.559796D+01  0.259555D+00
      5   0.394542D+01  0.171309D+01  0.903011D+01  0.206621D+01  0.301921D+01
      6   0.223757D+01  0.459873D+01  0.951578D+01  0.722876D+01 -0.146641D+00
                26            27            28            29            30 
      1  -0.564377D+01  0.361402D+01 -0.918859D+01 -0.148843D-01 -0.540316D+01
      2   0.517170D+01  0.124762D+02  0.315121D+01  0.223099D-01  0.541279D+01
      3   0.472070D+00 -0.160902D+02  0.603739D+01 -0.742559D-02 -0.962667D-02
      4   0.372584D+01 -0.876874D-01  0.723266D-02 -0.606902D+01  0.360138D+01
      5   0.561084D+00 -0.453636D+01 -0.327344D+01  0.221316D+01 -0.324861D+01
      6   0.571286D+01 -0.709040D+01  0.220818D+01  0.336423D+01 -0.169172D-01
                31            32            33            34            35 
      1   0.242056D-01  0.314265D+01  0.357083D+01 -0.766326D+01  0.514899D+01
      2  -0.374242D-01 -0.919364D+01 -0.358023D+01  0.768175D+01 -0.514983D+01
      3   0.132186D-01  0.605100D+01  0.940642D-02 -0.184883D-01  0.837559D-03
      4  -0.620251D+01  0.112158D-01  0.543619D+01  0.518314D+01  0.764832D+01
      5   0.216984D+01  0.332182D+01  0.547293D-01  0.372282D+01 -0.446019D-02
      6   0.332684D+01 -0.218636D+01 -0.325456D+01  0.462604D-02  0.365544D+01
                36            37            38            39            40 
      1   0.155179D+00 -0.285583D+01  0.807864D+00  0.120016D+01  0.594447D+01
      2   0.854256D-01 -0.470864D+01  0.217870D+00 -0.388830D+01 -0.785340D+01
      3  -0.240605D+00  0.756447D+01 -0.102573D+01  0.268813D+01  0.190893D+01
      4   0.345549D-02  0.129084D+02 -0.546660D+01 -0.209113D+01 -0.809405D+01
      5  -0.326203D-01 -0.478964D+01  0.258730D+01  0.291635D+01  0.412734D+01
      6   0.270113D-01 -0.102353D+01 -0.119331D+01 -0.449738D+00  0.240913D+00
                41            42            43            44            45 
      1  -0.226057D+02  0.119231D+02  0.185911D+01  0.642850D+01  0.498421D+01
      2   0.240685D+02 -0.129952D+02 -0.730340D+00 -0.638832D+01  0.110992D+02
      3  -0.146279D+01  0.107212D+01 -0.112877D+01 -0.401785D-01 -0.160834D+02
      4   0.501991D+01 -0.407987D+01  0.405050D+00 -0.144464D+01  0.319785D+01
      5   0.354314D+01 -0.293983D+00  0.325739D+01  0.472304D+00 -0.144467D+01
      6  -0.137985D+02  0.826471D+01  0.116395D+01  0.544266D+01  0.831392D+01
                46            47            48            49            50 
      1   0.745602D+01  0.117109D+02  0.111325D+02  0.470192D+01  0.162780D+02
      2  -0.865251D+01 -0.611661D+01 -0.884947D+01 -0.204830D+01 -0.212037D+02
      3   0.119649D+01 -0.559427D+01 -0.228306D+01 -0.265362D+01  0.492570D+01
      4   0.117009D+02  0.128319D+02  0.815138D+01  0.847314D+01 -0.124222D+01
      5   0.735026D+01  0.460937D+01  0.660223D+01  0.259816D+01  0.610979D+01
      6   0.927296D+01  0.400423D+01  0.241421D+01  0.463685D+01 -0.295541D+01
                51            52            53            54            55 
      1   0.129460D+01  0.370586D+01  0.245843D+01  0.123465D+02  0.414684D+01
      2  -0.311433D+01 -0.430878D+01 -0.152003D+01  0.375410D+01 -0.514002D+01
      3   0.181973D+01  0.602920D+00 -0.938396D+00 -0.161006D+02  0.993181D+00
      4   0.337625D+01  0.486791D+01  0.125425D+01  0.106795D+01 -0.157483D+02
      5   0.262546D+01  0.562667D+01  0.208264D+00 -0.646516D+01 -0.149670D+02
      6   0.456123D+01  0.891159D+00  0.311450D+01 -0.537889D+01 -0.100845D+02
                56            57            58            59            60 
      1  -0.131581D+02 -0.170546D+02 -0.166617D+02 -0.215173D+02 -0.229191D+01
      2   0.152606D+01  0.725570D+01  0.264333D+01  0.127349D+02 -0.426965D+01
      3   0.116321D+02  0.979895D+01  0.140184D+02  0.878243D+01  0.656155D+01
      4  -0.253698D+02 -0.785146D+01 -0.300659D+02 -0.997784D+01 -0.201134D+02
      5  -0.388909D+01 -0.988182D+01 -0.656485D+01 -0.231940D+02  0.422482D+01
      6  -0.531875D+01 -0.383608D+00 -0.106985D+02 -0.580794D+01 -0.471560D+01
                61            62            63            64            65 
      1  -0.104939D+02  0.644833D+00 -0.599627D+01 -0.501631D+02  0.791889D+01
      2   0.326119D+01 -0.522385D+01  0.192962D+01  0.338905D+02 -0.203304D+01
      3   0.723274D+01  0.457901D+01  0.406664D+01  0.162725D+02 -0.588585D+01
      4  -0.515822D+01 -0.158724D+02  0.124338D+01 -0.768191D+00  0.106405D+02
      5  -0.871403D+01  0.236095D+01  0.202386D+01  0.281927D+02 -0.154620D+01
      6  -0.112165D+01 -0.493602D+01  0.230924D+01  0.115021D+01 -0.456220D+01
                66            67            68            69            70 
      1   0.260828D+02  0.142316D+02  0.171974D+02 -0.829941D+01  0.185049D+02
      2  -0.143123D+02 -0.596229D+01 -0.106901D+02  0.904553D+01 -0.997620D+01
      3  -0.117705D+02 -0.826928D+01 -0.650730D+01 -0.746113D+00 -0.852872D+01
      4   0.393723D+01  0.116609D+02 -0.460506D+01  0.107994D+02 -0.250607D-01
      5  -0.612882D+01 -0.693073D+01  0.117659D+02 -0.530050D+01 -0.671369D+01
      6  -0.686075D+00 -0.191744D+01  0.944328D+01 -0.848347D+01 -0.238086D+00
                71            72            73            74            75 
      1  -0.706244D+01 -0.186201D+01  0.220132D+02 -0.159852D+01 -0.109927D+02
      2   0.782449D+01 -0.220665D+01 -0.205887D+02  0.862356D+00  0.102808D+02
      3  -0.762048D+00  0.406866D+01 -0.142449D+01  0.736163D+00  0.711921D+00
      4   0.873933D+01 -0.415678D+01  0.128752D+02 -0.955075D+01 -0.673037D+01
      5  -0.373083D+01 -0.301476D+01 -0.136803D+02 -0.202450D+01  0.828949D+01
      6  -0.693110D+01  0.599213D+00  0.779225D+00  0.482566D+01  0.454311D+00
                76            77            78            79            80 
      1   0.555907D+01 -0.802785D+01 -0.473800D+01 -0.565808D+01 -0.152179D+01
      2  -0.334278D+01  0.490471D+00  0.193086D+01  0.554254D+01  0.266782D+01
      3  -0.221628D+01  0.753738D+01  0.280715D+01  0.115541D+00 -0.114602D+01
      4  -0.531284D+01  0.103004D+02 -0.359240D+01 -0.301486D+01 -0.343799D+00
      5  -0.325637D+01 -0.857665D+00  0.240281D+00  0.521927D+01  0.142758D+01
      6   0.314614D+01 -0.390789D+01  0.289665D+01  0.728739D+00  0.352933D+01
                81            82            83            84            85 
      1   0.101921D+02 -0.202665D+00  0.490283D+01  0.289371D+01  0.721024D+01
      2   0.591615D+01 -0.444099D+01 -0.106532D+02 -0.139742D+00 -0.100013D+02
      3  -0.161082D+02  0.464366D+01  0.575033D+01 -0.275397D+01  0.279102D+01
      4   0.389077D+01 -0.529923D+01  0.124974D+02 -0.103389D+02  0.547366D+01
      5   0.842902D+01  0.254952D+01 -0.993847D+00  0.455017D+01  0.109331D+01
      6  -0.361146D+00 -0.586596D+01  0.803543D+01 -0.241290D+01  0.783364D+01
                86            87            88            89            90 
      1   0.869341D+01  0.674159D+00 -0.122603D+01 -0.551984D+00  0.103502D+02
      2  -0.101599D+02  0.853855D-01  0.270625D+00 -0.150320D+00  0.575068D+01
      3   0.146648D+01 -0.759544D+00  0.955406D+00  0.702304D+00 -0.161009D+02
      4  -0.210399D+02  0.853076D+01 -0.493152D+01  0.453421D+01 -0.380598D+01
      5   0.742745D+01 -0.258820D+01  0.486393D+01 -0.911245D+00 -0.388937D+01
      6  -0.517883D+01  0.662799D+01 -0.164074D+01  0.386575D+01  0.749914D+01
                91            92            93            94            95 
      1   0.546390D+01 -0.130616D+02 -0.117586D+02 -0.135462D+02 -0.962066D+00
      2   0.146319D+01  0.182264D+02  0.524108D+01  0.210885D+02 -0.157402D+02
      3  -0.692709D+01 -0.516479D+01  0.651750D+01 -0.754229D+01  0.167022D+02
      4  -0.856803D+01 -0.117088D+02  0.790593D+01 -0.166013D+02  0.356294D+02
      5  -0.100535D+02 -0.219818D+01 -0.105145D+02 -0.179883D+01 -0.191209D+02
      6   0.829258D+01 -0.396389D+01  0.280745D+01 -0.993389D+01  0.210289D+02
                96            97            98            99           100 
      1  -0.771450D+01 -0.866150D+01 -0.832325D+01 -0.574796D+01 -0.301641D+02
      2   0.175450D+02  0.375206D+01  0.153365D+02  0.167482D+01  0.122161D+02
      3  -0.983046D+01  0.490944D+01 -0.701328D+01  0.407314D+01  0.179480D+02
      4  -0.179182D+02  0.435039D+01 -0.117015D+02  0.192773D+01  0.341811D+02
      5  -0.185709D+01 -0.860144D+01 -0.867673D+00  0.993267D+00  0.247781D+02
      6  -0.411352D+01  0.265290D+01 -0.503177D+01 -0.293279D+01 -0.153013D+02
               101           102           103           104           105 
      1   0.203111D+02  0.211596D+02  0.161927D+02  0.922565D+01  0.572403D+01
      2  -0.160831D+02 -0.105821D+02 -0.143554D+02 -0.106020D+01 -0.109302D+02
      3  -0.422792D+01 -0.105774D+02 -0.183728D+01 -0.816545D+01  0.520620D+01
      4  -0.583281D+01 -0.151747D+02 -0.150401D+01 -0.105209D+02  0.790905D+01
      5  -0.757559D+01 -0.431968D+01 -0.158818D+01  0.804605D+01  0.358615D+01
      6  -0.394093D+01 -0.104533D+01 -0.357053D+01 -0.976417D+01 -0.102572D+02
               106           107           108           109           110 
      1   0.174922D+02  0.473543D+01  0.105179D+01 -0.114889D+01 -0.108248D+02
      2  -0.990780D+01 -0.870250D+01 -0.511161D+01  0.734839D+00  0.861888D+01
      3  -0.758439D+01  0.396708D+01  0.405982D+01  0.414046D+00  0.220594D+01
      4  -0.891959D+01  0.468412D+01  0.280961D+01 -0.241045D+02  0.579206D+00
      5  -0.532672D+01  0.307223D+01 -0.302613D+01 -0.811985D+01  0.739058D+01
      6  -0.422118D+00 -0.832203D+01  0.608434D+00  0.634175D+01  0.273016D+01
               111           112           113           114           115 
      1  -0.240929D+01 -0.133433D+02 -0.625229D+01  0.234507D+01 -0.146877D+01
      2   0.283228D+01  0.819640D+01  0.548711D+00  0.532296D+00  0.933236D+00
      3  -0.422989D+00  0.514692D+01  0.570358D+01 -0.287736D+01  0.535531D+00
      4   0.948448D+01  0.764341D+01 -0.430682D+01 -0.922580D+01  0.493410D+01
      5   0.724329D+01  0.789857D+01 -0.409840D+01 -0.206026D+01  0.418077D+01
      6  -0.224229D+01  0.678700D+00  0.212458D+01  0.393396D+01 -0.102244D+01
               116           117           118           119           120 
      1   0.135076D+01  0.679186D+01  0.828429D+02 -0.111707D+01 -0.213732D+02
      2  -0.234811D+01  0.930399D+01 -0.477425D+02  0.160561D+01  0.143688D+02
      3   0.997350D+00 -0.160958D+02 -0.351003D+02 -0.488535D+00  0.700440D+01
      4  -0.389777D+01 -0.425440D+01  0.103695D+02  0.798267D+01 -0.244495D+01
      5  -0.170129D+01  0.793225D+01 -0.329697D+02  0.444158D+00  0.185835D+02
      6   0.454450D+01 -0.292178D+01 -0.349232D+01 -0.162211D+01  0.294348D+01
               121           122           123           124           125 
      1  -0.143087D+02  0.743756D+01  0.504283D+01 -0.176291D+02  0.104466D+01
      2   0.992200D+01 -0.409297D+01 -0.470855D+01  0.141605D+02 -0.174731D+01
      3   0.438673D+01 -0.334459D+01 -0.334286D+00  0.346857D+01  0.702648D+00
      4   0.946931D+01 -0.956958D+00 -0.447121D+01 -0.266401D+01 -0.346532D+01
      5   0.629796D+01 -0.578727D+01 -0.279300D+01  0.225795D+02  0.170031D+00
      6  -0.261341D+01 -0.850063D+00  0.276603D+01  0.317759D+01  0.269786D+01
               126           127           128           129           130 
      1   0.134494D+02  0.109468D+01  0.548511D+01 -0.746417D+01  0.443394D+01
      2  -0.109998D+02  0.147019D+00 -0.379055D+01  0.377166D+01 -0.139377D+01
      3  -0.244959D+01 -0.124170D+01 -0.169457D+01  0.369251D+01 -0.304017D+01
      4   0.212100D+01  0.226134D+01  0.110989D+00 -0.140694D+01  0.723673D+01
      5  -0.134585D+02 -0.499673D+01 -0.896948D+00  0.707273D+00 -0.343603D+01
      6  -0.159353D+01 -0.350188D+01  0.276006D+01 -0.190447D+01 -0.213968D+01
               131           132           133           134           135 
      1  -0.133343D+02  0.750882D+01 -0.633783D+01  0.530602D+01 -0.651210D+01
      2   0.182357D+02 -0.637981D+01  0.351083D+01 -0.315835D+01  0.201100D+01
      3  -0.490147D+01 -0.112901D+01  0.282700D+01 -0.214767D+01  0.450111D+01
      4   0.226153D+02 -0.104903D+02 -0.448145D+01 -0.877214D+01  0.811913D+01
      5  -0.104816D+02  0.119965D+02  0.501181D+01  0.858766D+01 -0.106618D+02
      6  -0.169328D+02  0.126610D+02  0.150949D+01  0.111862D+02 -0.110154D+02
               136           137           138           139           140 
      1   0.343386D+02  0.170239D+02  0.100803D+02  0.208203D+02  0.123787D+02
      2  -0.128895D+02 -0.362438D+01 -0.472897D+01 -0.253813D+01  0.461787D+01
      3  -0.214491D+02 -0.133996D+02 -0.535138D+01 -0.182822D+02 -0.169966D+02
      4   0.316815D+02  0.232269D+02  0.961217D+01  0.340091D+02  0.345082D+02
      5   0.183492D+02  0.952219D+01  0.127876D+02  0.135664D+02  0.150280D+02
      6   0.832985D+01  0.576241D+01  0.474425D+01  0.101129D+02  0.118002D+02
               141           142           143           144           145 
      1   0.409491D+01  0.871293D+01  0.247761D+01  0.643532D+01  0.149105D+02
      2   0.431890D+00 -0.553475D+01 -0.928475D+00 -0.399002D+01 -0.100040D+02
      3  -0.452681D+01 -0.317819D+01 -0.154913D+01 -0.244529D+01 -0.490649D+01
      4   0.147708D+02  0.102591D+02  0.106985D+02  0.112526D+02 -0.527816D+01
      5   0.104845D+02  0.168244D+02  0.106673D+02  0.116412D+02  0.122377D+02
      6   0.854859D+01  0.765747D+01  0.844234D+01  0.692299D+01 -0.938990D+00
               146           147           148           149           150 
      1  -0.626032D+01  0.843693D+01 -0.133912D+02  0.829635D+01 -0.332871D+01
      2   0.455242D+01 -0.618504D+01  0.103249D+02 -0.703057D+01  0.646545D+01
      3   0.170790D+01 -0.225189D+01  0.306636D+01 -0.126578D+01 -0.313674D+01
      4   0.768771D+01 -0.171559D+01  0.112013D+02 -0.159360D+02  0.105594D+02
      5  -0.394093D+01  0.100299D+02 -0.894870D+01  0.125062D+02 -0.140257D+02
      6   0.196831D+01 -0.128421D+00  0.430110D+01 -0.585520D+01  0.336085D+01
               151           152           153           154           155 
      1   0.941919D+01 -0.730157D+00  0.449874D+01  0.557004D+01 -0.533845D+01
      2  -0.847489D+01  0.415374D+01 -0.898395D+01  0.403725D+01 -0.501039D+01
      3  -0.944292D+00 -0.342358D+01  0.448521D+01 -0.960729D+01  0.103488D+02
      4  -0.101416D+01  0.723897D+01 -0.621929D+01 -0.175728D+02  0.197793D+02
      5   0.121839D+02 -0.782811D+01  0.151604D+02  0.773810D+01 -0.592547D+01
      6  -0.750466D+00  0.402489D+01 -0.225393D+01 -0.670419D+01  0.485564D+01
               156           157           158           159           160 
      1   0.366443D+01 -0.110566D+01 -0.136993D+02  0.593858D+01  0.155627D+01
      2  -0.451413D+00 -0.141158D+02  0.425483D+02 -0.121729D+02  0.782547D+00
      3  -0.321302D+01  0.152214D+02 -0.288489D+02  0.623436D+01 -0.233882D+01
      4  -0.663648D+01  0.283431D+02 -0.487176D+02  0.154623D+02 -0.800313D+01
      5   0.679162D+01 -0.799277D+01  0.154189D+02 -0.975669D+01  0.912335D+01
      6  -0.402169D+01  0.104207D+02 -0.246984D+02  0.145631D+02 -0.794411D+01
               161           162           163           164           165 
      1   0.540560D+01 -0.304842D+01  0.251367D+02  0.684479D+01  0.105069D+02
      2  -0.805629D+01  0.549594D+01 -0.191133D+02 -0.712340D+01 -0.963554D+01
      3   0.265069D+01 -0.244753D+01 -0.602341D+01  0.278610D+00 -0.871308D+00
      4   0.128117D+02 -0.116509D+02 -0.304342D+01  0.529104D+01 -0.211766D+01
      5  -0.109544D+02  0.811815D+01  0.170133D+02  0.305993D+01  0.140507D+02
      6   0.161591D+02 -0.108608D+02 -0.285741D+01  0.174949D+01 -0.429724D+01
               166           167           168           169           170 
      1   0.145478D+02  0.709592D+01  0.577342D+01  0.889461D+01  0.186566D+01
      2  -0.134842D+02 -0.699148D+01 -0.955037D+01 -0.934235D+01 -0.540023D+01
      3  -0.106360D+01 -0.104448D+00  0.377695D+01  0.447736D+00  0.353458D+01
      4   0.323565D+01  0.383916D+01  0.521943D+01 -0.388505D+01  0.528355D+01
      5   0.857091D+01  0.843197D+01  0.960726D+01  0.140197D+02  0.369428D+01
      6   0.199617D+01 -0.335862D+00 -0.664572D+00 -0.339173D+01  0.218784D+01
               171           172           173           174           175 
      1   0.690965D+01  0.575163D+02 -0.147793D+02 -0.158938D+02 -0.366895D+01
      2  -0.114175D+02 -0.256767D+02  0.249643D+01  0.930046D+01 -0.372830D+01
      3   0.450783D+01 -0.318396D+02  0.122829D+02  0.659333D+01  0.739724D+01
      4  -0.367764D+00 -0.451617D+02  0.219701D+02  0.133670D+02  0.154039D+02
      5   0.148901D+02 -0.283432D+02  0.862605D+01  0.161934D+02  0.283547D+01
      6  -0.373017D+01  0.134781D+02 -0.566689D+01 -0.850448D+01 -0.434006D+01
               176           177           178           179           180 
      1   0.531211D+01 -0.752787D+00 -0.114160D+02  0.138961D+01  0.836769D+01
      2   0.129988D+01  0.311712D+01  0.848780D+01  0.582225D+00 -0.591603D+01
      3  -0.661198D+01 -0.236433D+01  0.292815D+01 -0.197184D+01 -0.245166D+01
      4  -0.117176D+02 -0.522095D+01  0.115482D+02 -0.636341D+01 -0.101352D+02
      5  -0.576367D+01 -0.277020D+01  0.184741D+02 -0.670231D+01 -0.118055D+02
      6   0.534296D+01  0.513074D+01 -0.971030D+01  0.678749D+01  0.660938D+01
               181           182           183           184           185 
      1  -0.503956D+01 -0.121919D+02 -0.939050D+01 -0.661516D+01 -0.202801D+02
      2   0.515641D+01  0.124842D+02  0.554771D+01  0.554004D+01  0.263410D+02
      3  -0.116848D+00 -0.292347D+00  0.384279D+01  0.107512D+01 -0.606094D+01
      4   0.133139D+01  0.809124D+00  0.363038D+01  0.467003D+01 -0.818311D+01
      5  -0.177853D+01  0.129200D+01 -0.110146D+01  0.178733D+01 -0.471932D+01
      6   0.688873D+01  0.748901D+01  0.759259D+01  0.198835D+01  0.179287D+02
               186           187           188           189           190 
      1  -0.100488D+02 -0.552879D+01 -0.882702D+01 -0.109956D+02 -0.183034D+01
      2   0.104368D+02  0.208981D+01  0.793330D+01  0.650828D+01  0.148015D+02
      3  -0.388000D+00  0.343899D+01  0.893716D+00  0.448733D+01 -0.129711D+02
      4  -0.422429D+01  0.493393D+01 -0.553539D+01 -0.273255D+01  0.257874D+02
      5  -0.630177D+01  0.235480D+01 -0.492837D+01 -0.564028D+01  0.803826D+01
      6   0.144954D+02  0.214725D+01  0.138596D+02  0.142663D+02  0.132693D+02
               191           192           193           194           195 
      1  -0.849536D+01 -0.238630D+01 -0.685095D+01 -0.226163D+02 -0.734181D+01
      2   0.256522D+02  0.617529D+01  0.191370D+02  0.480775D+02  0.132382D+02
      3  -0.171568D+02 -0.378899D+01 -0.122860D+02 -0.254613D+02 -0.589643D+01
      4   0.300005D+02  0.127251D+02  0.199426D+02  0.310530D+02  0.911918D+01
      5   0.854990D+01  0.666044D+01  0.476358D+01  0.758897D+01  0.394519D+01
      6   0.139841D+02  0.968572D+01  0.941326D+01  0.224770D+02  0.146982D+02
               196           197           198           199           200 
      1  -0.257012D+01 -0.835451D+01 -0.672278D+01 -0.395774D+01  0.758709D+01
      2   0.369449D+01  0.117051D+02  0.916823D+01  0.588729D+01 -0.110277D+02
      3  -0.112437D+01 -0.335055D+01 -0.244545D+01 -0.192955D+01  0.344059D+01
      4   0.876524D+01  0.929752D+01  0.952727D+01 -0.201433D+02  0.123082D+02
      5   0.622095D+01  0.626838D+01  0.535080D+01 -0.837670D+01  0.465605D+01
      6   0.927727D+01  0.190561D+02  0.124531D+02  0.131851D+02 -0.815117D+01
               201           202           203           204           205 
      1   0.425907D+01  0.294145D+01 -0.686436D+01 -0.497633D+01  0.321450D+01
      2  -0.143045D+01 -0.503119D+01  0.110745D+02  0.761205D+01  0.666770D-01
      3  -0.282862D+01  0.208974D+01 -0.421015D+01 -0.263572D+01 -0.328118D+01
      4   0.118307D+02  0.725835D+01 -0.552647D+01 -0.201993D+01  0.798939D+01
      5   0.530483D+01  0.168776D+01 -0.158121D+01 -0.748212D+00  0.527351D+01
      6  -0.146477D+02 -0.349644D+01  0.104366D+02  0.807080D+01 -0.873783D+01
               206           207           208           209           210 
      1  -0.755721D+01 -0.715761D+01 -0.525752D+01  0.127131D+02 -0.523020D+01
      2   0.893702D+01  0.265354D+01  0.964995D+01 -0.211423D+02  0.647406D+01
      3  -0.137981D+01  0.450407D+01 -0.439243D+01  0.842919D+01 -0.124386D+01
      4  -0.226281D+01 -0.774860D+01 -0.512189D+01  0.125120D+02 -0.582098D+01
      5  -0.165847D+01 -0.421111D+01  0.582935D+00 -0.344179D+01  0.301195D+01
      6   0.109347D+02  0.147566D+02 -0.709893D+01  0.931720D+01 -0.483374D+01
               211           212           213           214           215 
      1   0.514308D+01 -0.466077D+02  0.138161D+02 -0.265900D+01  0.140688D+02
      2  -0.869321D+01  0.806848D+02 -0.207155D+02  0.241354D+01 -0.175977D+02
      3   0.355013D+01 -0.340771D+02  0.689948D+01  0.245457D+00  0.352894D+01
      4   0.829449D+01 -0.414455D+01  0.150460D+01 -0.387365D+01  0.103299D+01
      5  -0.169710D+01  0.157933D+00  0.898954D+00  0.260057D+01  0.553894D+00
      6   0.364690D+01 -0.318591D+02  0.183123D+02 -0.245320D+01  0.226555D+02
               216           217           218           219           220 
      1  -0.111215D+02  0.125251D+02 -0.148066D+01 -0.392079D+01 -0.196755D+01
      2   0.135735D+02 -0.828690D+01  0.492903D+01  0.550691D+01  0.405964D+01
      3  -0.245203D+01 -0.423822D+01 -0.344837D+01 -0.158612D+01 -0.209209D+01
      4  -0.110782D+01  0.248598D+02  0.925427D+01 -0.118370D+02  0.191189D+01
      5   0.173542D+00 -0.153667D+02 -0.332261D+01  0.111607D+02  0.119550D+01
      6  -0.135283D+02 -0.119328D+02 -0.455503D+01  0.133759D+02 -0.138595D+01
               221           222           223           224           225 
      1  -0.113912D+01  0.346635D+01 -0.132198D+01  0.438760D+01 -0.229466D+00
      2   0.306886D+01 -0.699073D+01  0.381498D+01 -0.691750D+01 -0.426010D+01
      3  -0.192974D+01  0.352438D+01 -0.249300D+01  0.252989D+01  0.448957D+01
      4   0.316267D+01 -0.146555D+01 -0.909213D+01 -0.429316D+01  0.894637D+01
      5  -0.288212D+01 -0.520801D+00  0.978284D+01  0.213451D+01 -0.953779D+01
      6  -0.609687D+01  0.223322D+01  0.921546D+01  0.643300D+01 -0.120176D+02
               226           227           228           229           230 
      1   0.122979D+02  0.178233D+01 -0.148472D+01 -0.212457D+01  0.222443D+01
      2  -0.389820D+01 -0.767547D+01  0.576223D+00 -0.168456D+01  0.275051D+01
      3  -0.839974D+01  0.589313D+01  0.908493D+00  0.380913D+01 -0.497495D+01
      4  -0.237199D+02  0.108707D+02 -0.434335D+01  0.901001D+01 -0.724048D+01
      5   0.109016D+02 -0.482164D+01  0.447775D+01 -0.243767D+01  0.140235D+01
      6  -0.379991D+01  0.677483D+01 -0.550250D+01  0.152377D+01  0.959779D-01
               231           232           233           234           235 
      1  -0.130110D+01 -0.103386D+01 -0.360226D+01  0.139859D+01 -0.723824D+00
      2   0.129687D+01 -0.174263D+01  0.632084D+01 -0.333477D+01 -0.219820D+01
      3   0.423290D-02  0.277649D+01 -0.271858D+01  0.193618D+01  0.292202D+01
      4   0.140806D+01  0.208117D+01 -0.449410D+00 -0.324773D+01 -0.126233D+01
      5  -0.132492D+01  0.225770D+01 -0.729942D+00  0.186930D+01  0.168071D+01
      6   0.114350D+01 -0.269042D+01 -0.721704D+00 -0.514613D+00 -0.253008D+01
               236           237           238           239           240 
      1  -0.299433D+01  0.199639D+01 -0.181064D+01  0.100927D+01 -0.148518D+01
      2   0.297144D+01 -0.737454D+00  0.116193D+01 -0.390380D+01 -0.314791D+01
      3   0.228921D-01 -0.125894D+01  0.648706D+00  0.289453D+01  0.463308D+01
      4   0.247748D+01 -0.316015D+01  0.280311D+00 -0.140970D+00  0.374229D-01
      5  -0.100822D+01  0.513937D+01 -0.197655D+00 -0.119249D+01  0.105420D+01
      6  -0.120529D+01  0.972167D+00 -0.861985D+00  0.423770D+00  0.129241D+01
               241           242           243           244           245 
      1  -0.112539D+01  0.640334D+01 -0.171528D+02  0.294621D+02 -0.184871D+01
      2  -0.315310D+01 -0.365836D+01 -0.191185D+02 -0.181133D+02  0.510263D+01
      3   0.427850D+01 -0.274499D+01  0.362714D+02 -0.113488D+02 -0.325392D+01
      4  -0.380081D+01  0.305120D+00 -0.329265D+01  0.162650D+02  0.648659D+01
      5   0.433314D+01 -0.102420D+01  0.572119D+01  0.134941D+02  0.195334D+01
      6  -0.355295D+01  0.774645D+01 -0.232245D+02  0.104425D+01  0.370345D+01
               246           247           248           249           250 
      1   0.246741D+01 -0.682420D+00  0.469750D+01  0.105282D+01 -0.172196D+01
      2  -0.330678D+01  0.185541D+01 -0.264957D+01 -0.695161D+00 -0.188572D+01
      3   0.839370D+00 -0.117299D+01 -0.204793D+01 -0.357660D+00  0.360768D+01
      4   0.352149D+01  0.165816D+01  0.328658D-01 -0.138510D+01 -0.307486D+01
      5   0.639486D+01 -0.224840D+01 -0.735375D+00 -0.862233D+00  0.301636D+01
      6   0.331847D+01 -0.226749D+00 -0.235429D+01 -0.789388D+00  0.112867D+01
               251           252           253           254           255 
      1   0.270707D+01  0.300580D+01  0.195374D+01  0.322478D+01  0.420807D+01
      2  -0.415725D+01 -0.492629D+01 -0.463139D+01 -0.329154D+01 -0.128421D+01
      3   0.145019D+01  0.192050D+01  0.267766D+01  0.667591D-01 -0.292386D+01
      4  -0.287321D+01  0.612174D+00 -0.345560D+00 -0.886965D+00  0.140696D+01
      5  -0.839326D+00  0.190903D+01  0.208449D+01 -0.910230D+00  0.386705D+01
      6  -0.148874D+01 -0.267796D+00  0.619385D+00 -0.172292D+01 -0.201927D+01
               256           257           258           259           260 
      1   0.926442D+00 -0.161026D+01  0.156172D+00 -0.630280D+00 -0.483010D+01
      2  -0.364168D+00 -0.152172D+01  0.363735D+01 -0.438437D+01  0.394258D+01
      3  -0.562274D+00  0.313198D+01 -0.379352D+01  0.501465D+01  0.887525D+00
      4  -0.138637D+01 -0.904728D+00  0.871127D-01  0.326951D+01  0.273485D+01
      5  -0.153332D+01 -0.817458D+00 -0.211615D+01  0.645973D+01  0.156016D+01
      6  -0.109588D+01  0.115348D+01  0.257850D+01  0.409690D+01  0.562274D+01
               261           262           263           264           265 
      1  -0.151060D+02  0.223532D+02  0.863564D+01 -0.239942D+01  0.137588D+02
      2  -0.211662D+02 -0.123329D+02 -0.576808D+01  0.285603D+01 -0.880428D+01
      3   0.362722D+02 -0.100203D+02 -0.286756D+01 -0.456611D+00 -0.495451D+01
      4   0.163747D+01  0.988860D+01  0.988887D+01 -0.223267D+01  0.652168D+01
      5   0.142003D+02 -0.732158D+01 -0.336330D+01  0.493065D+01 -0.910057D+01
      6   0.192455D+02 -0.376266D+01 -0.353731D+01  0.105933D+01 -0.297915D+01
               266           267           268           269           270 
      1   0.717665D+01 -0.302673D+01  0.533482D+01  0.793349D+00  0.657065D+00
      2  -0.383051D+01  0.381900D+01 -0.159474D+01  0.255404D+00 -0.259016D+01
      3  -0.334614D+01 -0.792270D+00 -0.374008D+01 -0.104875D+01  0.193309D+01
      4   0.124338D+02 -0.201575D+00 -0.317745D+01  0.267836D+01  0.367718D+01
      5  -0.203710D+01  0.525495D+01  0.150422D+01  0.313014D+01 -0.137611D+01
      6  -0.506317D+01  0.687277D+00  0.116406D+01  0.499029D-01 -0.136588D+01
               271           272           273           274           275 
      1  -0.187709D+01  0.487686D+00 -0.374034D+01  0.132917D+01 -0.140516D+01
      2  -0.722695D+00 -0.219484D-01 -0.911954D+00 -0.148943D+01 -0.179616D+01
      3   0.259979D+01 -0.465737D+00  0.465229D+01  0.160258D+00  0.320132D+01
      4   0.424018D+01 -0.280951D+00 -0.776519D+00  0.211330D+01 -0.772807D+00
      5   0.487094D+00 -0.137875D+01  0.136846D+01 -0.149075D+01 -0.254173D+01
      6  -0.332090D+00 -0.518643D+00  0.112650D+01 -0.139252D+01  0.967004D+00
               276           277           278           279           280 
      1  -0.948137D+00 -0.154463D+01  0.133558D+00 -0.157867D+02 -0.465126D+01
      2   0.217061D+01  0.605106D+01  0.218925D+01 -0.204892D+02  0.709883D+01
      3  -0.122247D+01 -0.450643D+01 -0.232281D+01  0.362759D+02 -0.244757D+01
      4  -0.274029D+01  0.224966D+01 -0.450021D+01  0.249378D+01  0.901856D+01
      5   0.120095D+01  0.886482D+01  0.925441D+00 -0.229564D+02 -0.406958D+01
      6   0.505599D+01 -0.159504D+01  0.320838D+01  0.666252D+01 -0.104177D+01
               281           282           283           284           285 
      1  -0.882636D+01  0.326024D+01 -0.682534D+01 -0.165405D+02  0.378451D+01
      2   0.127985D+02 -0.253669D+01  0.870447D+01  0.275073D+02 -0.323206D+01
      3  -0.397212D+01 -0.723553D+00 -0.187913D+01 -0.109668D+02 -0.552441D+00
      4   0.391542D+01  0.889257D+00  0.820655D+01  0.659628D+01 -0.136033D+01
      5  -0.194074D+01 -0.558262D-01 -0.322911D+01 -0.343162D+01  0.396660D+00
      6  -0.848761D+01  0.457875D+01 -0.289736D+01 -0.933411D+01  0.565519D+01
               286           287           288           289           290 
      1  -0.372252D+00 -0.745744D+00 -0.347667D+01 -0.135071D+01 -0.192774D+01
      2   0.919171D+00  0.460576D+01  0.155855D+01 -0.188479D+01  0.168908D+01
      3  -0.546918D+00 -0.386001D+01  0.191811D+01  0.323550D+01  0.238660D+00
      4   0.301750D+01 -0.359186D+01  0.312921D+01 -0.877510D+00  0.100218D+01
      5  -0.491281D+00  0.894211D+00 -0.117717D+01  0.144709D+01 -0.951743D+00
      6   0.286202D+01  0.202193D+01 -0.152117D+01 -0.196161D+01 -0.197207D+01
               291           292           293           294           295 
      1   0.290566D+01  0.123950D+00 -0.210444D+01 -0.355460D+00  0.261489D+01
      2  -0.106704D+01  0.265805D+00 -0.472523D+00 -0.405108D+01 -0.861961D+00
      3  -0.183862D+01 -0.389755D+00  0.257696D+01  0.440654D+01 -0.175293D+01
      4  -0.218718D+01 -0.100282D+01  0.432564D+01 -0.669975D+00 -0.447308D+01
      5   0.468687D+01 -0.962471D-01 -0.554493D+00  0.154166D+01  0.337684D+01
      6   0.165087D+01 -0.173873D+01 -0.391044D-01  0.176844D+01  0.225890D+00
               296           297           298           299           300 
      1   0.575793D+01 -0.210795D+02 -0.347152D+01  0.376013D+01  0.223979D+00
      2  -0.957536D+00 -0.151795D+02  0.509660D+01 -0.385918D+01  0.229219D+00
      3  -0.480040D+01  0.362590D+02 -0.162507D+01  0.990436D-01 -0.453198D+00
      4   0.259266D+01  0.181107D+01 -0.192057D+01  0.431976D+00 -0.188812D+01
      5  -0.232004D+01  0.955564D+01 -0.267363D+01 -0.183336D+00 -0.975089D+00
      6   0.871661D+01 -0.219455D+02 -0.798105D+00 -0.414582D+01 -0.183340D+01
               301           302           303           304           305 
      1   0.568834D+01 -0.205895D+02 -0.414601D+01 -0.311292D+01 -0.153567D+01
      2  -0.369539D+01  0.323224D+02  0.336305D+01  0.214753D+01 -0.222005D+01
      3  -0.199295D+01 -0.117329D+02  0.782958D+00  0.965381D+00  0.375572D+01
      4   0.562924D+01  0.105919D+02  0.244139D+01 -0.324457D+01 -0.342548D+01
      5   0.315877D+01 -0.278671D+00  0.235324D+01 -0.145019D+01  0.545135D+00
      6   0.538383D+00  0.133323D+02  0.660336D+01 -0.142307D+01  0.299232D+01
               306           307           308           309           310 
      1  -0.496379D+01 -0.967690D+00  0.455477D+00  0.373063D+01 -0.250784D+01
      2   0.302978D+01 -0.221505D+01  0.367669D-01 -0.347009D+00  0.238094D+01
      3   0.193400D+01  0.318273D+01 -0.492244D+00 -0.338363D+01  0.126902D+00
      4  -0.426259D+00 -0.476717D+00 -0.140600D+01  0.437348D+00 -0.161070D+01
      5  -0.494578D+00  0.154162D+01 -0.733673D+00  0.313129D+01 -0.144082D+01
      6   0.187390D+01 -0.263514D+00 -0.198051D+01 -0.221239D+01 -0.145126D+01
               311           312           313           314           315 
      1  -0.474984D+01 -0.105688D+01  0.372677D+01 -0.468457D+01 -0.214706D+02
      2   0.213441D+01  0.448168D+01 -0.396321D+01 -0.371613D+00 -0.148062D+02
      3   0.261543D+01 -0.342479D+01  0.236440D+00  0.505618D+01  0.362768D+02
      4  -0.160004D+01  0.715100D+00  0.338906D+01  0.313975D+01  0.786177D+00
      5   0.308157D-01 -0.214587D+01  0.491084D+01  0.387556D+01  0.172471D+02
      6   0.171888D+01  0.329119D+01  0.135713D+01  0.715121D+01  0.165319D+02
               316           317           318           319           320 
      1   0.641975D+01 -0.350471D+01  0.663867D+00 -0.980898D+01  0.686425D+00
      2  -0.128336D+00 -0.588065D+00 -0.558200D+00  0.363098D+01  0.640944D+01
      3  -0.629142D+01  0.409278D+01 -0.105667D+00  0.617799D+01 -0.709587D+01
      4  -0.957152D+01  0.107940D+02  0.218861D+01  0.113244D+02 -0.223809D+02
      5  -0.135312D+01  0.232774D+01  0.207249D+01  0.784390D+01 -0.391910D+01
      6   0.234130D+01 -0.326546D+01 -0.163963D+01 -0.493847D+01  0.938729D+01
               321           322           323           324           325 
      1   0.175733D+01  0.650446D+01 -0.144611D+01 -0.241174D+01 -0.415609D+01
      2  -0.265837D+01 -0.344683D+01 -0.954561D+00  0.484086D+00  0.135235D+01
      3   0.901048D+00 -0.305763D+01  0.240067D+01  0.192765D+01  0.280374D+01
      4  -0.367341D+01  0.589701D+00  0.202319D+01 -0.374934D+01 -0.128124D+01
      5  -0.581226D+01 -0.223198D+00 -0.301350D+01 -0.745420D+00  0.753436D+00
      6   0.353969D+01 -0.105167D+01  0.177065D+01  0.179177D+01 -0.893864D+00
               326           327           328           329           330 
      1   0.746980D+00 -0.312011D+01  0.192227D+01 -0.145062D+01 -0.273762D+00
      2  -0.137848D+01 -0.163719D+01 -0.192912D+01 -0.155267D+01  0.922468D+00
      3   0.631496D+00  0.475730D+01  0.684815D-02  0.300329D+01 -0.648706D+00
      4   0.677135D+00  0.272321D+00  0.318777D+01 -0.904470D+00 -0.339882D+01
      5  -0.370493D+00  0.110258D+01 -0.599236D+00 -0.291711D+01  0.435121D+00
      6  -0.600967D+00  0.512884D+00 -0.145554D+01  0.109732D+01  0.533296D+01
               331           332           333 
      1  -0.325928D+01 -0.258271D+01 -0.182380D+02
      2   0.653321D+01 -0.130465D+01 -0.180369D+02
      3  -0.327392D+01  0.388736D+01  0.362749D+02
      4  -0.482201D+00 -0.403455D+01 -0.343696D+01
      5   0.827833D+01 -0.303743D+01 -0.237655D+02
      6  -0.508771D+00  0.380058D+01  0.265639D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.883090D-03      0.224459D-02      0.748715D-02
   x          0.191352D-03      0.486369D-03      0.162235D-02
   y          0.138826D-03      0.352861D-03      0.117702D-02
   z          0.850858D-03      0.216267D-02      0.721388D-02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.139420D+03      0.206599D+02      0.229872D+02
   aniso      0.253547D+02      0.375717D+01      0.418042D+01
   xx         0.147873D+03      0.219125D+02      0.243810D+02
   yx        -0.236901D-02     -0.351051D-03     -0.390597D-03
   yy         0.147870D+03      0.219120D+02      0.243804D+02
   zx        -0.100961D-03     -0.149609D-04     -0.166462D-04
   zy        -0.253378D-02     -0.375468D-03     -0.417764D-03
   zz         0.122517D+03      0.181551D+02      0.202003D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.145094D+03      0.215008D+02      0.239229D+02
   aniso      0.274476D+02      0.406732D+01      0.452550D+01
   xx         0.154245D+03      0.228568D+02      0.254316D+02
   yx        -0.280236D-02     -0.415267D-03     -0.462047D-03
   yy         0.154242D+03      0.228563D+02      0.254311D+02
   zx        -0.343580D-03     -0.509133D-04     -0.566487D-04
   zy        -0.299058D-02     -0.443158D-03     -0.493080D-03
   zz         0.126796D+03      0.187892D+02      0.209058D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -1.09586463         -5.50308848          0.32546661
     6         -0.79171345         -4.98889569         -2.46362738
     7         -1.47225398         -2.26963737         -2.95700418
    45          0.00013473          0.00009100          0.00017656
     7          0.42052229         -3.57325612          1.76689302
     7          1.82412374          1.95513621          2.98545080
     6          4.63501141          1.56408176          2.76805307
     6          5.35516074          1.70635312          0.01176668
     7          3.73937362         -0.13536852         -1.43689464
     7         -0.85445332          3.43191145         -1.88646038
     6         -3.64246209          3.95121761         -1.64562970
     6         -4.46100190          3.26979527          1.00041610
     7         -3.65718806          0.59124841          1.52988273
     1          7.35262507          1.27980299         -0.26190660
     1          5.01470516          3.58689163         -0.75884133
     1          5.64494176          2.97607793          3.87845868
     1          5.07911941         -0.28254537          3.56732240
     1         -4.04420657          5.92811316         -2.06661185
     1         -4.62154706          2.80932632         -3.05403169
     1         -6.49989077          3.46622884          1.22626436
     1         -3.56489235          4.48636463          2.40153000
     1         -1.97912045         -6.24237594         -3.58859664
     1          1.15615112         -5.27297299         -3.07305004
     1         -0.47629337         -7.40878345          0.80626716
     1         -3.06320060         -5.32744340          0.91293807
     1          2.25914378         -4.14875835          1.81670697
     1         -0.13680707         -3.60173339          3.61144617
     1         -3.38958046         -2.13120444         -3.09399889
     1         -0.83348953         -1.78074671         -4.70815721
     1         -4.96471876         -0.60433466          0.77155817
     1         -3.76900490          0.27654896          3.42780692
     1          0.11459015          4.92682632         -1.15136422
     1         -0.38472376          3.43288452         -3.75542533
     1          1.46192031          3.84757382          2.94426095
     1          1.25716700          1.40034455          4.74171999
     1          4.51698612         -1.89162280         -1.27849529
     1          3.86841282          0.27442683         -3.31549055

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.883090D-03      0.224459D-02      0.748715D-02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.883090D-03      0.224459D-02      0.748715D-02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.139420D+03      0.206599D+02      0.229872D+02
   aniso      0.253547D+02      0.375717D+01      0.418042D+01
   xx         0.146683D+03      0.217361D+02      0.241847D+02
   yx        -0.865415D+00     -0.128241D+00     -0.142688D+00
   yy         0.147244D+03      0.218193D+02      0.242773D+02
   zx         0.529349D+01      0.784414D+00      0.872778D+00
   zy         0.383730D+01      0.568629D+00      0.632685D+00
   zz         0.124333D+03      0.184242D+02      0.204997D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.145094D+03      0.215008D+02      0.239229D+02
   aniso      0.274476D+02      0.406732D+01      0.452550D+01
   xx         0.152957D+03      0.226659D+02      0.252192D+02
   yx        -0.936994D+00     -0.138848D+00     -0.154489D+00
   yy         0.153565D+03      0.227559D+02      0.253194D+02
   zx         0.573021D+01      0.849130D+00      0.944784D+00
   zy         0.415380D+01      0.615529D+00      0.684868D+00
   zz         0.128762D+03      0.190805D+02      0.212300D+02

 ----------------------------------------------------------------------
 1\1\GINC-CPN-K10-35-01\Freq\RB3LYP\Gen\C6H24N6Rh1(3+)\PIERPA\16-Jul-20
 21\0\\#P B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SC
 F=(NoSymm,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq Pseu
 do=Read\\ROA calculations.\\3,1\C,-0.478199,-2.83832,0.749399\C,-0.645
 629,-2.804461,-0.750307\N,-1.078681,-1.418399,-1.150041\Rh,0.000089,0.
 000061,0.000067\N,0.452614,-1.72396,1.149911\N,1.266579,1.253203,1.150
 361\C,2.69713,1.00498,0.74974\C,2.751749,0.843414,-0.749999\N,1.767955
 ,-0.224596,-1.150132\N,-0.689162,1.644142,-1.149359\C,-2.106386,1.9611
 18,-0.750083\C,-2.219517,1.832701,0.749582\N,-1.719027,0.469782,1.1501
 95\H,3.756021,0.57943,-1.083089\H,2.47027,1.765046,-1.260306\H,3.33314
 4,1.825874,1.082628\H,3.035123,0.1025,1.259954\H,-2.380317,2.962746,-1
 .083117\H,-2.763117,1.256285,-1.260915\H,-3.248557,1.972847,1.082181\H
 ,-1.607166,2.57671,1.26\H,-1.376439,-3.54211,-1.083457\H,0.293217,-3.0
 21476,-1.260748\H,-0.08555,-3.799768,1.082032\H,-1.428624,-2.67961,1.2
 59901\H,1.4133,-2.037405,1.01236\H,0.376507,-1.580276,2.156655\H,-2.08
 6004,-1.33986,-1.011556\H,-0.954028,-1.314487,-2.156803\H,-2.470374,-0
 .206011,1.012941\H,-1.556269,0.46426,2.156877\H,-0.118063,2.477516,-1.
 010037\H,-0.660849,1.48486,-2.156217\H,1.057396,2.241932,1.013461\H,1.
 180208,1.114623,2.15698\H,2.203896,-1.13623,-1.012433\H,1.615436,-0.16
 7935,-2.156845\\Version=ES64L-G16RevA.03\State=1-A\HF=-681.6349369\RMS
 D=1.381e-09\RMSF=2.474e-05\ZeroPoint=0.3526594\Thermal=0.3676896\Dipol
 e=0.0001914,0.0001388,0.0008509\DipoleDeriv=0.2505219,0.3398396,0.0073
 633,0.1424711,0.2307943,0.0882515,0.0370253,0.2215996,0.1176575,0.0769
 249,-0.2760015,-0.0270907,-0.0786152,0.404468,-0.0841782,-0.0506931,-0
 .2186176,0.1174468,-0.1630423,-0.0804145,-0.1239832,-0.086903,-0.44526
 22,-0.0263028,-0.1884928,-0.1325805,-0.2515313,1.0577601,-0.0004273,0.
 0001406,0.000098,1.0581297,-0.0000568,-0.0001134,0.000316,0.752522,-0.
 1452664,-0.0438013,-0.1045763,-0.0375125,-0.4631686,0.0717103,-0.12328
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 LIFE CAN ONLY BE UNDERSTOOD BACKWARD, BUT MUST
 BE LIVED FORWARD. -- KIRKEGAARD
 Job cpu time:       0 days 17 hours  6 minutes 23.4 seconds.
 Elapsed time:       0 days  2 hours  9 minutes 22.4 seconds.
 File lengths (MBytes):  RWF=    642 Int=      0 D2E=      0 Chk=     22 Scr=      2
 Normal termination of Gaussian 16 at Fri Jul 16 15:19:29 2021.
